3-(3-methylanilino)-5-[methyl-[(1R,2S)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]pyrazine-2-carboxamide;5-(3-methylanilino)-3-[methyl-[(1R,2S)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]-1,2,4-triazine-6-carboxamide;3-(3-methylanilino)-5-[[(1R,2R)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]pyrazine-2-carboxamide;3-(3-methylanilino)-5-[methyl-[(1R)-3-(prop-2-enoylamino)cyclopentyl]amino]pyrazine-2-carboxamide;5-(3-methylanilino)-3-[[(1R,2R)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]-1,2,4-triazine-6-carboxamide;5-(3-methylanilino)-3-[methyl-[(1R)-3-(prop-2-enoylamino)cyclopentyl]amino]-1,2,4-triazine-6-carboxamide

C125H157N39O12 — CID 161410286

IUPAC3-(3-methylanilino)-5-[methyl-[(1R,2S)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]pyrazine-2-carboxamide;5-(3-methylanilino)-3-[methyl-[(1R,2S)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]-1,2,4-triazine-6-carboxamide;3-(3-methylanilino)-5-[[(1R,2R)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]pyrazine-2-carboxamide;3-(3-methylanilino)-5-[methyl-[(1R)-3-(prop-2-enoylamino)cyclopentyl]amino]pyrazine-2-carboxamide;5-(3-methylanilino)-3-[[(1R,2R)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]-1,2,4-triazine-6-carboxamide;5-(3-methylanilino)-3-[methyl-[(1R)-3-(prop-2-enoylamino)cyclopentyl]amino]-1,2,4-triazine-6-carboxamide
SMILESC=CC(=O)NC1CC[C@@H](N(C)c2cnc(C(N)=O)c(Nc3cccc(C)c3)n2)C1.C=CC(=O)NC1CC[C@@H](N(C)c2cnc(C(N)=O)c(Nc3cccc(C)c3)n2)[C@H]1C.C=CC(=O)NC1CC[C@@H](N(C)c2nnc(C(N)=O)c(Nc3cccc(C)c3)n2)C1.C=CC(=O)NC1CC[C@@H](N(C)c2nnc(C(N)=O)c(Nc3cccc(C)c3)n2)[C@H]1C.C=CC(=O)NC1CC[C@@H](Nc2cnc(C(N)=O)c(Nc3cccc(C)c3)n2)[C@H]1C.C=CC(=O)NC1CC[C@@H](Nc2nnc(C(N)=O)c(Nc3cccc(C)c3)n2)[C@H]1C
InChIInChI=1S/C22H28N6O2.C21H27N7O2.2C21H26N6O2.2C20H25N7O2/c1-5-19(29)26-16-9-10-17(14(16)3)28(4)18-12-24-20(21(23)30)22(27-18)25-15-8-6-7-13(2)11-15;1-5-17(29)24-15-9-10-16(13(15)3)28(4)21-25-20(18(19(22)30)26-27-21)23-14-8-6-7-12(2)11-14;1-4-18(28)24-15-8-9-16(11-15)27(3)17-12-23-19(20(22)29)21(26-17)25-14-7-5-6-13(2)10-14;1-4-18(28)26-16-9-8-15(13(16)3)25-17-11-23-19(20(22)29)21(27-17)24-14-7-5-6-12(2)10-14;1-4-16(28)22-14-8-9-15(11-14)27(3)20-24-19(17(18(21)29)25-26-20)23-13-7-5-6-12(2)10-13;1-4-16(28)23-14-8-9-15(12(14)3)24-20-25-19(17(18(21)29)26-27-20)22-13-7-5-6-11(2)10-13/h5-8,11-12,14,16-17H,1,9-10H2,2-4H3,(H2,23,30)(H,25,27)(H,26,29);5-8,11,13,15-16H,1,9-10H2,2-4H3,(H2,22,30)(H,24,29)(H,23,25,27);4-7,10,12,15-16H,1,8-9,11H2,2-3H3,(H2,22,29)(H,24,28)(H,25,26);4-7,10-11,13,15-16H,1,8-9H2,2-3H3,(H2,22,29)(H,26,28)(H2,24,25,27);4-7,10,14-15H,1,8-9,11H2,2-3H3,(H2,21,29)(H,22,28)(H,23,24,26);4-7,10,12,14-15H,1,8-9H2,2-3H3,(H2,21,29)(H,23,28)(H2,22,24,25,27)/t14-,16?,17+;13-,15?,16+;15?,16-;13-,15-,16?;14?,15-;12-,14?,15+/m001110/s1
InChIKeyVVJLJHLCMRFXDU-DONZXBLASA-N
MW2397.89 g/mol
LogP12.84
Rot. Bonds42

About 3-(3-methylanilino)-5-[methyl-[(1R,2S)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]pyrazine-2-carboxamide;5-(3-methylanilino)-3-[methyl-[(1R,2S)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]-1,2,4-triazine-6-carboxamide;3-(3-methylanilino)-5-[[(1R,2R)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]pyrazine-2-carboxamide;3-(3-methylanilino)-5-[methyl-[(1R)-3-(prop-2-enoylamino)cyclopentyl]amino]pyrazine-2-carboxamide;5-(3-methylanilino)-3-[[(1R,2R)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]-1,2,4-triazine-6-carboxamide;5-(3-methylanilino)-3-[methyl-[(1R)-3-(prop-2-enoylamino)cyclopentyl]amino]-1,2,4-triazine-6-carboxamide

3-(3-methylanilino)-5-[methyl-[(1R,2S)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]pyrazine-2-carboxamide;5-(3-methylanilino)-3-[methyl-[(1R,2S)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]-1,2,4-triazine-6-carboxamide;3-(3-methylanilino)-5-[[(1R,2R)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]pyrazine-2-carboxamide;3-(3-methylanilino)-5-[methyl-[(1R)-3-(prop-2-enoylamino)cyclopentyl]amino]pyrazine-2-carboxamide;5-(3-methylanilino)-3-[[(1R,2R)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]-1,2,4-triazine-6-carboxamide;5-(3-methylanilino)-3-[methyl-[(1R)-3-(prop-2-enoylamino)cyclopentyl]amino]-1,2,4-triazine-6-carboxamide (PubChem CID 161410286) has the molecular formula C125H157N39O12 and a molecular weight of 2397.89 g/mol. Its IUPAC name is 3-(3-methylanilino)-5-[methyl-[(1R,2S)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]pyrazine-2-carboxamide;5-(3-methylanilino)-3-[methyl-[(1R,2S)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]-1,2,4-triazine-6-carboxamide;3-(3-methylanilino)-5-[[(1R,2R)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]pyrazine-2-carboxamide;3-(3-methylanilino)-5-[methyl-[(1R)-3-(prop-2-enoylamino)cyclopentyl]amino]pyrazine-2-carboxamide;5-(3-methylanilino)-3-[[(1R,2R)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]-1,2,4-triazine-6-carboxamide;5-(3-methylanilino)-3-[methyl-[(1R)-3-(prop-2-enoylamino)cyclopentyl]amino]-1,2,4-triazine-6-carboxamide.

Molecular Properties

Compound Name3-(3-methylanilino)-5-[methyl-[(1R,2S)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]pyrazine-2-carboxamide;5-(3-methylanilino)-3-[methyl-[(1R,2S)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]-1,2,4-triazine-6-carboxamide;3-(3-methylanilino)-5-[[(1R,2R)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]pyrazine-2-carboxamide;3-(3-methylanilino)-5-[methyl-[(1R)-3-(prop-2-enoylamino)cyclopentyl]amino]pyrazine-2-carboxamide;5-(3-methylanilino)-3-[[(1R,2R)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]-1,2,4-triazine-6-carboxamide;5-(3-methylanilino)-3-[methyl-[(1R)-3-(prop-2-enoylamino)cyclopentyl]amino]-1,2,4-triazine-6-carboxamide
PubChem CID161410286
Molecular FormulaC125H157N39O12
Molecular Weight2397.89 g/mol
Exact Mass2396.29
IUPAC Name3-(3-methylanilino)-5-[methyl-[(1R,2S)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]pyrazine-2-carboxamide;5-(3-methylanilino)-3-[methyl-[(1R,2S)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]-1,2,4-triazine-6-carboxamide;3-(3-methylanilino)-5-[[(1R,2R)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]pyrazine-2-carboxamide;3-(3-methylanilino)-5-[methyl-[(1R)-3-(prop-2-enoylamino)cyclopentyl]amino]pyrazine-2-carboxamide;5-(3-methylanilino)-3-[[(1R,2R)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]-1,2,4-triazine-6-carboxamide;5-(3-methylanilino)-3-[methyl-[(1R)-3-(prop-2-enoylamino)cyclopentyl]amino]-1,2,4-triazine-6-carboxamide
SMILESC=CC(=O)NC1CC[C@@H](N(C)c2cnc(C(N)=O)c(Nc3cccc(C)c3)n2)C1.C=CC(=O)NC1CC[C@@H](N(C)c2cnc(C(N)=O)c(Nc3cccc(C)c3)n2)[C@H]1C.C=CC(=O)NC1CC[C@@H](N(C)c2nnc(C(N)=O)c(Nc3cccc(C)c3)n2)C1.C=CC(=O)NC1CC[C@@H](N(C)c2nnc(C(N)=O)c(Nc3cccc(C)c3)n2)[C@H]1C.C=CC(=O)NC1CC[C@@H](Nc2cnc(C(N)=O)c(Nc3cccc(C)c3)n2)[C@H]1C.C=CC(=O)NC1CC[C@@H](Nc2nnc(C(N)=O)c(Nc3cccc(C)c3)n2)[C@H]1C
InChIInChI=1S/C22H28N6O2.C21H27N7O2.2C21H26N6O2.2C20H25N7O2/c1-5-19(29)26-16-9-10-17(14(16)3)28(4)18-12-24-20(21(23)30)22(27-18)25-15-8-6-7-13(2)11-15;1-5-17(29)24-15-9-10-16(13(15)3)28(4)21-25-20(18(19(22)30)26-27-21)23-14-8-6-7-12(2)11-14;1-4-18(28)24-15-8-9-16(11-15)27(3)17-12-23-19(20(22)29)21(26-17)25-14-7-5-6-13(2)10-14;1-4-18(28)26-16-9-8-15(13(16)3)25-17-11-23-19(20(22)29)21(27-17)24-14-7-5-6-12(2)10-14;1-4-16(28)22-14-8-9-15(11-14)27(3)20-24-19(17(18(21)29)25-26-20)23-13-7-5-6-12(2)10-13;1-4-16(28)23-14-8-9-15(12(14)3)24-20-25-19(17(18(21)29)26-27-20)22-13-7-5-6-11(2)10-13/h5-8,11-12,14,16-17H,1,9-10H2,2-4H3,(H2,23,30)(H,25,27)(H,26,29);5-8,11,13,15-16H,1,9-10H2,2-4H3,(H2,22,30)(H,24,29)(H,23,25,27);4-7,10,12,15-16H,1,8-9,11H2,2-3H3,(H2,22,29)(H,24,28)(H,25,26);4-7,10-11,13,15-16H,1,8-9H2,2-3H3,(H2,22,29)(H,26,28)(H2,24,25,27);4-7,10,14-15H,1,8-9,11H2,2-3H3,(H2,21,29)(H,22,28)(H,23,24,26);4-7,10,12,14-15H,1,8-9H2,2-3H3,(H2,21,29)(H,23,28)(H2,22,24,25,27)/t14-,16?,17+;13-,15?,16+;15?,16-;13-,15-,16?;14?,15-;12-,14?,15+/m001110/s1
InChIKeyVVJLJHLCMRFXDU-DONZXBLASA-N
XLogP12.84
TPSA735.69 Ų
H-Bond Donors20
H-Bond Acceptors39
Rotatable Bonds42
Heavy Atoms176
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002397.89
LogP ≤ 512.84
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(3-methylanilino)-5-[methyl-[(1R,2S)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]pyrazine-2-carboxamide;5-(3-methylanilino)-3-[methyl-[(1R,2S)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]-1,2,4-triazine-6-carboxamide;3-(3-methylanilino)-5-[[(1R,2R)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]pyrazine-2-carboxamide;3-(3-methylanilino)-5-[methyl-[(1R)-3-(prop-2-enoylamino)cyclopentyl]amino]pyrazine-2-carboxamide;5-(3-methylanilino)-3-[[(1R,2R)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]-1,2,4-triazine-6-carboxamide;5-(3-methylanilino)-3-[methyl-[(1R)-3-(prop-2-enoylamino)cyclopentyl]amino]-1,2,4-triazine-6-carboxamide with MolForge

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Related Compounds

3-(3,4-dimethylanilino)-5-[[(1R,2R)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]pyrazine-2-carboxamide;3-(3,4-dimethylanilino)-5-[methyl-[(1R)-3-(prop-2-enoylamino)cyclopentyl]amino]pyrazine-2-carboxamide;5-(3,4-dimethylanilino)-3-[[(1R,2R)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]-1,2,4-triazine-6-carboxamide;5-(3,4-dimethylanilino)-3-[methyl-[(1R)-3-(prop-2-enoylamino)cyclopentyl]amino]-1,2,4-triazine-6-carboxamide;3-(3,4-dimethylanilino)-5-[[(1R)-3-(prop-2-enoylamino)cyclopentyl]amino]pyrazine-2-carboxamide;5-(3,4-dimethylanilino)-3-[[(1R)-3-(prop-2-enoylamino)cyclopentyl]amino]-1,2,4-triazine-6-carboxamide
CID 159006084
5-(4-methylanilino)-3-[methyl-[(1R)-3-(prop-2-enoylamino)cyclohexyl]amino]-1,2,4-triazine-6-carboxamide
CID 157468493
3-[methyl-[(1R,2S)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]-5-[(4-methylthiophen-2-yl)amino]-1,2,4-triazine-6-carboxamide
CID 158046080
3-(3-methylanilino)-5-[[(3R)-1-prop-2-enoylpyrrolidin-3-yl]amino]pyrazine-2-carboxamide
CID 159384220
3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-(3-methylanilino)-1,2,4-triazine-6-carboxamide
CID 72551286
5-[4-(1-methylpiperidin-4-yl)anilino]-3-[[(1R,2R)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]-1,2,4-triazine-6-carboxamide
CID 158655258
5-[4-(1,4-dimethylpiperidin-4-yl)anilino]-3-[[(1R,2R)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]-1,2,4-triazine-6-carboxamide
CID 158655260
5-[(4-hydroxycyclohexyl)amino]-3-(3-methylsulfonylanilino)pyrazine-2-carboxamide
CID 66643257
2-(3-methylanilino)-6-[3-(prop-2-enoylamino)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 118039077
5-[[(2R,3R)-2-methyl-1-prop-2-enoylpyrrolidin-3-yl]amino]-3-[(4-methylthiophen-2-yl)amino]pyrazine-2-carboxamide
CID 161361260
3-[methyl-[(2R,3R)-2-methyl-1-prop-2-enoylpiperidin-3-yl]amino]-5-[(1-methylpyrrol-3-yl)amino]-1,2,4-triazine-6-carboxamide
CID 159764097
5-[methyl-[(3R)-1-prop-2-enoylpiperidin-3-yl]amino]-3-[4-(morpholine-4-carbonyl)anilino]pyrazine-2-carboxamide
CID 118114761

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylanilino)-5-[methyl-[(1R,2S)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]pyrazine-2-carboxamide;5-(3-methylanilino)-3-[methyl-[(1R,2S)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]-1,2,4-triazine-6-carboxamide;3-(3-methylanilino)-5-[[(1R,2R)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]pyrazine-2-carboxamide;3-(3-methylanilino)-5-[methyl-[(1R)-3-(prop-2-enoylamino)cyclopentyl]amino]pyrazine-2-carboxamide;5-(3-methylanilino)-3-[[(1R,2R)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]-1,2,4-triazine-6-carboxamide;5-(3-methylanilino)-3-[methyl-[(1R)-3-(prop-2-enoylamino)cyclopentyl]amino]-1,2,4-triazine-6-carboxamide?
The IUPAC name of 3-(3-methylanilino)-5-[methyl-[(1R,2S)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]pyrazine-2-carboxamide;5-(3-methylanilino)-3-[methyl-[(1R,2S)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]-1,2,4-triazine-6-carboxamide;3-(3-methylanilino)-5-[[(1R,2R)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]pyrazine-2-carboxamide;3-(3-methylanilino)-5-[methyl-[(1R)-3-(prop-2-enoylamino)cyclopentyl]amino]pyrazine-2-carboxamide;5-(3-methylanilino)-3-[[(1R,2R)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]-1,2,4-triazine-6-carboxamide;5-(3-methylanilino)-3-[methyl-[(1R)-3-(prop-2-enoylamino)cyclopentyl]amino]-1,2,4-triazine-6-carboxamide (CID 161410286) is 3-(3-methylanilino)-5-[methyl-[(1R,2S)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]pyrazine-2-carboxamide;5-(3-methylanilino)-3-[methyl-[(1R,2S)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]-1,2,4-triazine-6-carboxamide;3-(3-methylanilino)-5-[[(1R,2R)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]pyrazine-2-carboxamide;3-(3-methylanilino)-5-[methyl-[(1R)-3-(prop-2-enoylamino)cyclopentyl]amino]pyrazine-2-carboxamide;5-(3-methylanilino)-3-[[(1R,2R)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]-1,2,4-triazine-6-carboxamide;5-(3-methylanilino)-3-[methyl-[(1R)-3-(prop-2-enoylamino)cyclopentyl]amino]-1,2,4-triazine-6-carboxamide.
What is the SMILES notation for 3-(3-methylanilino)-5-[methyl-[(1R,2S)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]pyrazine-2-carboxamide;5-(3-methylanilino)-3-[methyl-[(1R,2S)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]-1,2,4-triazine-6-carboxamide;3-(3-methylanilino)-5-[[(1R,2R)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]pyrazine-2-carboxamide;3-(3-methylanilino)-5-[methyl-[(1R)-3-(prop-2-enoylamino)cyclopentyl]amino]pyrazine-2-carboxamide;5-(3-methylanilino)-3-[[(1R,2R)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]-1,2,4-triazine-6-carboxamide;5-(3-methylanilino)-3-[methyl-[(1R)-3-(prop-2-enoylamino)cyclopentyl]amino]-1,2,4-triazine-6-carboxamide?
The canonical SMILES for 3-(3-methylanilino)-5-[methyl-[(1R,2S)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]pyrazine-2-carboxamide;5-(3-methylanilino)-3-[methyl-[(1R,2S)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]-1,2,4-triazine-6-carboxamide;3-(3-methylanilino)-5-[[(1R,2R)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]pyrazine-2-carboxamide;3-(3-methylanilino)-5-[methyl-[(1R)-3-(prop-2-enoylamino)cyclopentyl]amino]pyrazine-2-carboxamide;5-(3-methylanilino)-3-[[(1R,2R)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]-1,2,4-triazine-6-carboxamide;5-(3-methylanilino)-3-[methyl-[(1R)-3-(prop-2-enoylamino)cyclopentyl]amino]-1,2,4-triazine-6-carboxamide is C=CC(=O)NC1CC[C@@H](N(C)c2cnc(C(N)=O)c(Nc3cccc(C)c3)n2)C1.C=CC(=O)NC1CC[C@@H](N(C)c2cnc(C(N)=O)c(Nc3cccc(C)c3)n2)[C@H]1C.C=CC(=O)NC1CC[C@@H](N(C)c2nnc(C(N)=O)c(Nc3cccc(C)c3)n2)C1.C=CC(=O)NC1CC[C@@H](N(C)c2nnc(C(N)=O)c(Nc3cccc(C)c3)n2)[C@H]1C.C=CC(=O)NC1CC[C@@H](Nc2cnc(C(N)=O)c(Nc3cccc(C)c3)n2)[C@H]1C.C=CC(=O)NC1CC[C@@H](Nc2nnc(C(N)=O)c(Nc3cccc(C)c3)n2)[C@H]1C.
What is the InChIKey of 3-(3-methylanilino)-5-[methyl-[(1R,2S)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]pyrazine-2-carboxamide;5-(3-methylanilino)-3-[methyl-[(1R,2S)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]-1,2,4-triazine-6-carboxamide;3-(3-methylanilino)-5-[[(1R,2R)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]pyrazine-2-carboxamide;3-(3-methylanilino)-5-[methyl-[(1R)-3-(prop-2-enoylamino)cyclopentyl]amino]pyrazine-2-carboxamide;5-(3-methylanilino)-3-[[(1R,2R)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]-1,2,4-triazine-6-carboxamide;5-(3-methylanilino)-3-[methyl-[(1R)-3-(prop-2-enoylamino)cyclopentyl]amino]-1,2,4-triazine-6-carboxamide?
The InChIKey is VVJLJHLCMRFXDU-DONZXBLASA-N. The full InChI is InChI=1S/C22H28N6O2.C21H27N7O2.2C21H26N6O2.2C20H25N7O2/c1-5-19(29)26-16-9-10-17(14(16)3)28(4)18-12-24-20(21(23)30)22(27-18)25-15-8-6-7-13(2)11-15;1-5-17(29)24-15-9-10-16(13(15)3)28(4)21-25-20(18(19(22)30)26-27-21)23-14-8-6-7-12(2)11-14;1-4-18(28)24-15-8-9-16(11-15)27(3)17-12-23-19(20(22)29)21(26-17)25-14-7-5-6-13(2)10-14;1-4-18(28)26-16-9-8-15(13(16)3)25-17-11-23-19(20(22)29)21(27-17)24-14-7-5-6-12(2)10-14;1-4-16(28)22-14-8-9-15(11-14)27(3)20-24-19(17(18(21)29)25-26-20)23-13-7-5-6-12(2)10-13;1-4-16(28)23-14-8-9-15(12(14)3)24-20-25-19(17(18(21)29)26-27-20)22-13-7-5-6-11(2)10-13/h5-8,11-12,14,16-17H,1,9-10H2,2-4H3,(H2,23,30)(H,25,27)(H,26,29);5-8,11,13,15-16H,1,9-10H2,2-4H3,(H2,22,30)(H,24,29)(H,23,25,27);4-7,10,12,15-16H,1,8-9,11H2,2-3H3,(H2,22,29)(H,24,28)(H,25,26);4-7,10-11,13,15-16H,1,8-9H2,2-3H3,(H2,22,29)(H,26,28)(H2,24,25,27);4-7,10,14-15H,1,8-9,11H2,2-3H3,(H2,21,29)(H,22,28)(H,23,24,26);4-7,10,12,14-15H,1,8-9H2,2-3H3,(H2,21,29)(H,23,28)(H2,22,24,25,27)/t14-,16?,17+;13-,15?,16+;15?,16-;13-,15-,16?;14?,15-;12-,14?,15+/m001110/s1.
What are the key properties of 3-(3-methylanilino)-5-[methyl-[(1R,2S)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]pyrazine-2-carboxamide;5-(3-methylanilino)-3-[methyl-[(1R,2S)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]-1,2,4-triazine-6-carboxamide;3-(3-methylanilino)-5-[[(1R,2R)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]pyrazine-2-carboxamide;3-(3-methylanilino)-5-[methyl-[(1R)-3-(prop-2-enoylamino)cyclopentyl]amino]pyrazine-2-carboxamide;5-(3-methylanilino)-3-[[(1R,2R)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]-1,2,4-triazine-6-carboxamide;5-(3-methylanilino)-3-[methyl-[(1R)-3-(prop-2-enoylamino)cyclopentyl]amino]-1,2,4-triazine-6-carboxamide?
3-(3-methylanilino)-5-[methyl-[(1R,2S)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]pyrazine-2-carboxamide;5-(3-methylanilino)-3-[methyl-[(1R,2S)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]-1,2,4-triazine-6-carboxamide;3-(3-methylanilino)-5-[[(1R,2R)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]pyrazine-2-carboxamide;3-(3-methylanilino)-5-[methyl-[(1R)-3-(prop-2-enoylamino)cyclopentyl]amino]pyrazine-2-carboxamide;5-(3-methylanilino)-3-[[(1R,2R)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]-1,2,4-triazine-6-carboxamide;5-(3-methylanilino)-3-[methyl-[(1R)-3-(prop-2-enoylamino)cyclopentyl]amino]-1,2,4-triazine-6-carboxamide has a molecular weight of 2397.89 g/mol, XLogP of 12.84, 42 rotatable bonds, 20 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylanilino)-5-[methyl-[(1R,2S)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]pyrazine-2-carboxamide;5-(3-methylanilino)-3-[methyl-[(1R,2S)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]-1,2,4-triazine-6-carboxamide;3-(3-methylanilino)-5-[[(1R,2R)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]pyrazine-2-carboxamide;3-(3-methylanilino)-5-[methyl-[(1R)-3-(prop-2-enoylamino)cyclopentyl]amino]pyrazine-2-carboxamide;5-(3-methylanilino)-3-[[(1R,2R)-2-methyl-3-(prop-2-enoylamino)cyclopentyl]amino]-1,2,4-triazine-6-carboxamide;5-(3-methylanilino)-3-[methyl-[(1R)-3-(prop-2-enoylamino)cyclopentyl]amino]-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 161410286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).