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

C127H161N39O12 — CID 159006084

IUPAC3-(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
SMILESC=CC(=O)NC1CC[C@@H](N(C)c2cnc(C(N)=O)c(Nc3ccc(C)c(C)c3)n2)C1.C=CC(=O)NC1CC[C@@H](N(C)c2nnc(C(N)=O)c(Nc3ccc(C)c(C)c3)n2)C1.C=CC(=O)NC1CC[C@@H](Nc2cnc(C(N)=O)c(Nc3ccc(C)c(C)c3)n2)C1.C=CC(=O)NC1CC[C@@H](Nc2cnc(C(N)=O)c(Nc3ccc(C)c(C)c3)n2)[C@H]1C.C=CC(=O)NC1CC[C@@H](Nc2nnc(C(N)=O)c(Nc3ccc(C)c(C)c3)n2)C1.C=CC(=O)NC1CC[C@@H](Nc2nnc(C(N)=O)c(Nc3ccc(C)c(C)c3)n2)[C@H]1C
InChIInChI=1S/2C22H28N6O2.2C21H27N7O2.C21H26N6O2.C20H25N7O2/c1-5-19(29)25-16-8-9-17(11-16)28(4)18-12-24-20(21(23)30)22(27-18)26-15-7-6-13(2)14(3)10-15;1-5-19(29)27-17-9-8-16(14(17)4)26-18-11-24-20(21(23)30)22(28-18)25-15-7-6-12(2)13(3)10-15;1-5-17(29)23-15-8-9-16(11-15)28(4)21-25-20(18(19(22)30)26-27-21)24-14-7-6-12(2)13(3)10-14;1-5-17(29)24-15-8-9-16(13(15)4)25-21-26-20(18(19(22)30)27-28-21)23-14-7-6-11(2)12(3)10-14;1-4-18(28)25-16-8-7-15(10-16)24-17-11-23-19(20(22)29)21(27-17)26-14-6-5-12(2)13(3)9-14;1-4-16(28)22-14-7-8-15(10-14)24-20-25-19(17(18(21)29)26-27-20)23-13-6-5-11(2)12(3)9-13/h5-7,10,12,16-17H,1,8-9,11H2,2-4H3,(H2,23,30)(H,25,29)(H,26,27);5-7,10-11,14,16-17H,1,8-9H2,2-4H3,(H2,23,30)(H,27,29)(H2,25,26,28);5-7,10,15-16H,1,8-9,11H2,2-4H3,(H2,22,30)(H,23,29)(H,24,25,27);5-7,10,13,15-16H,1,8-9H2,2-4H3,(H2,22,30)(H,24,29)(H2,23,25,26,28);4-6,9,11,15-16H,1,7-8,10H2,2-3H3,(H2,22,29)(H,25,28)(H2,24,26,27);4-6,9,14-15H,1,7-8,10H2,2-3H3,(H2,21,29)(H,22,28)(H2,23,24,25,27)/t16?,17-;14-,16-,17?;15?,16-;13-,15?,16+;15-,16?;14?,15-/m111011/s1
InChIKeyJRYAETMSJSCOSK-MUCFOVLHSA-N
MW2425.95 g/mol
LogP14.15
Rot. Bonds42

About 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

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 (PubChem CID 159006084) has the molecular formula C127H161N39O12 and a molecular weight of 2425.95 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID159006084
Molecular FormulaC127H161N39O12
Molecular Weight2425.95 g/mol
Exact Mass2424.32
IUPAC Name3-(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
SMILESC=CC(=O)NC1CC[C@@H](N(C)c2cnc(C(N)=O)c(Nc3ccc(C)c(C)c3)n2)C1.C=CC(=O)NC1CC[C@@H](N(C)c2nnc(C(N)=O)c(Nc3ccc(C)c(C)c3)n2)C1.C=CC(=O)NC1CC[C@@H](Nc2cnc(C(N)=O)c(Nc3ccc(C)c(C)c3)n2)C1.C=CC(=O)NC1CC[C@@H](Nc2cnc(C(N)=O)c(Nc3ccc(C)c(C)c3)n2)[C@H]1C.C=CC(=O)NC1CC[C@@H](Nc2nnc(C(N)=O)c(Nc3ccc(C)c(C)c3)n2)C1.C=CC(=O)NC1CC[C@@H](Nc2nnc(C(N)=O)c(Nc3ccc(C)c(C)c3)n2)[C@H]1C
InChIInChI=1S/2C22H28N6O2.2C21H27N7O2.C21H26N6O2.C20H25N7O2/c1-5-19(29)25-16-8-9-17(11-16)28(4)18-12-24-20(21(23)30)22(27-18)26-15-7-6-13(2)14(3)10-15;1-5-19(29)27-17-9-8-16(14(17)4)26-18-11-24-20(21(23)30)22(28-18)25-15-7-6-12(2)13(3)10-15;1-5-17(29)23-15-8-9-16(11-15)28(4)21-25-20(18(19(22)30)26-27-21)24-14-7-6-12(2)13(3)10-14;1-5-17(29)24-15-8-9-16(13(15)4)25-21-26-20(18(19(22)30)27-28-21)23-14-7-6-11(2)12(3)10-14;1-4-18(28)25-16-8-7-15(10-16)24-17-11-23-19(20(22)29)21(27-17)26-14-6-5-12(2)13(3)9-14;1-4-16(28)22-14-7-8-15(10-14)24-20-25-19(17(18(21)29)26-27-20)23-13-6-5-11(2)12(3)9-13/h5-7,10,12,16-17H,1,8-9,11H2,2-4H3,(H2,23,30)(H,25,29)(H,26,27);5-7,10-11,14,16-17H,1,8-9H2,2-4H3,(H2,23,30)(H,27,29)(H2,25,26,28);5-7,10,15-16H,1,8-9,11H2,2-4H3,(H2,22,30)(H,23,29)(H,24,25,27);5-7,10,13,15-16H,1,8-9H2,2-4H3,(H2,22,30)(H,24,29)(H2,23,25,26,28);4-6,9,11,15-16H,1,7-8,10H2,2-3H3,(H2,22,29)(H,25,28)(H2,24,26,27);4-6,9,14-15H,1,7-8,10H2,2-3H3,(H2,21,29)(H,22,28)(H2,23,24,25,27)/t16?,17-;14-,16-,17?;15?,16-;13-,15?,16+;15-,16?;14?,15-/m111011/s1
InChIKeyJRYAETMSJSCOSK-MUCFOVLHSA-N
XLogP14.15
TPSA753.27 Ų
H-Bond Donors22
H-Bond Acceptors39
Rotatable Bonds42
Heavy Atoms178
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002425.95
LogP ≤ 514.15
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
5-(4-methylanilino)-3-[methyl-[(1R)-3-(prop-2-enoylamino)cyclohexyl]amino]-1,2,4-triazine-6-carboxamide
CID 157468493
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
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-[[(1R,2S)-2-aminocyclohexyl]amino]-5-(3-amino-4-methylanilino)-1,2,4-triazine-6-carboxamide
CID 123215220
3-(3-methylanilino)-5-[[(3R)-1-prop-2-enoylpyrrolidin-3-yl]amino]pyrazine-2-carboxamide
CID 159384220
5-[methyl-[(3R)-1-prop-2-enoylpiperidin-3-yl]amino]-3-[4-(morpholine-4-carbonyl)anilino]pyrazine-2-carboxamide
CID 118114761
5-[(2-aminocyclohexyl)amino]-3-[3-(dimethylcarbamoyl)-4-methoxyanilino]pyrazine-2-carboxamide
CID 123482822
5-[[(2R,3R)-2-methyl-1-prop-2-enoylpyrrolidin-3-yl]amino]-3-[(4-methylthiophen-2-yl)amino]pyrazine-2-carboxamide
CID 161361260
5-[(4-hydroxycyclohexyl)amino]-3-(3-methylsulfonylanilino)pyrazine-2-carboxamide
CID 66643257
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=CC(=O)NC1CC[C@@H](N(C)c2cnc(C(N)=O)c(Nc3ccc(C)c(C)c3)n2)C1.C=CC(=O)NC1CC[C@@H](N(C)c2nnc(C(N)=O)c(Nc3ccc(C)c(C)c3)n2)C1.C=CC(=O)NC1CC[C@@H](Nc2cnc(C(N)=O)c(Nc3ccc(C)c(C)c3)n2)C1.C=CC(=O)NC1CC[C@@H](Nc2cnc(C(N)=O)c(Nc3ccc(C)c(C)c3)n2)[C@H]1C.C=CC(=O)NC1CC[C@@H](Nc2nnc(C(N)=O)c(Nc3ccc(C)c(C)c3)n2)C1.C=CC(=O)NC1CC[C@@H](Nc2nnc(C(N)=O)c(Nc3ccc(C)c(C)c3)n2)[C@H]1C.
What is the InChIKey of 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?
The InChIKey is JRYAETMSJSCOSK-MUCFOVLHSA-N. The full InChI is InChI=1S/2C22H28N6O2.2C21H27N7O2.C21H26N6O2.C20H25N7O2/c1-5-19(29)25-16-8-9-17(11-16)28(4)18-12-24-20(21(23)30)22(27-18)26-15-7-6-13(2)14(3)10-15;1-5-19(29)27-17-9-8-16(14(17)4)26-18-11-24-20(21(23)30)22(28-18)25-15-7-6-12(2)13(3)10-15;1-5-17(29)23-15-8-9-16(11-15)28(4)21-25-20(18(19(22)30)26-27-21)24-14-7-6-12(2)13(3)10-14;1-5-17(29)24-15-8-9-16(13(15)4)25-21-26-20(18(19(22)30)27-28-21)23-14-7-6-11(2)12(3)10-14;1-4-18(28)25-16-8-7-15(10-16)24-17-11-23-19(20(22)29)21(27-17)26-14-6-5-12(2)13(3)9-14;1-4-16(28)22-14-7-8-15(10-14)24-20-25-19(17(18(21)29)26-27-20)23-13-6-5-11(2)12(3)9-13/h5-7,10,12,16-17H,1,8-9,11H2,2-4H3,(H2,23,30)(H,25,29)(H,26,27);5-7,10-11,14,16-17H,1,8-9H2,2-4H3,(H2,23,30)(H,27,29)(H2,25,26,28);5-7,10,15-16H,1,8-9,11H2,2-4H3,(H2,22,30)(H,23,29)(H,24,25,27);5-7,10,13,15-16H,1,8-9H2,2-4H3,(H2,22,30)(H,24,29)(H2,23,25,26,28);4-6,9,11,15-16H,1,7-8,10H2,2-3H3,(H2,22,29)(H,25,28)(H2,24,26,27);4-6,9,14-15H,1,7-8,10H2,2-3H3,(H2,21,29)(H,22,28)(H2,23,24,25,27)/t16?,17-;14-,16-,17?;15?,16-;13-,15?,16+;15-,16?;14?,15-/m111011/s1.
What are the key properties of 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?
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 has a molecular weight of 2425.95 g/mol, XLogP of 14.15, 42 rotatable bonds, 22 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159006084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).