(2-amino-3-pyridinyl)-[6-[3-(2,6-dimethylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(4-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[4-[(2R)-2-propan-2-ylpiperidin-4-yl]-1-(trifluoromethyl)pyrimidin-1-ium-2-yl]methanone

C128H141F6N30O6+ — CID 158635496

IUPAC(2-amino-3-pyridinyl)-[6-[3-(2,6-dimethylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(4-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[4-[(2R)-2-propan-2-ylpiperidin-4-yl]-1-(trifluoromethyl)pyrimidin-1-ium-2-yl]methanone
SMILESCC(C)C[C@H]1CN(c2ccc(C(F)(F)F)c(C(=O)c3cccnc3N)n2)CCN1.CC(C)[C@H]1CC(c2cc[n+](C(F)(F)F)c(C(=O)c3cccnc3N)n2)CCN1.Cc1ccc(C2CN(c3cccc(C(=O)c4cccnc4N)n3)CCN2)cc1.Cc1cccc(C)c1C1CN(c2cccc(C(=O)c3cccnc3N)n2)CCN1.Cc1cccc(C2CN(c3cccc(C(=O)c4cccnc4N)n3)CCN2)c1.Cc1ccccc1C1CN(c2cccc(C(=O)c3cccnc3N)n2)CCN1
InChIInChI=1S/C23H25N5O.3C22H23N5O.C20H24F3N5O.C19H22F3N5O/c1-15-6-3-7-16(2)21(15)19-14-28(13-12-25-19)20-10-4-9-18(27-20)22(29)17-8-5-11-26-23(17)24;1-15-5-2-6-16(13-15)19-14-27(12-11-24-19)20-9-3-8-18(26-20)21(28)17-7-4-10-25-22(17)23;1-15-7-9-16(10-8-15)19-14-27(13-12-24-19)20-6-2-5-18(26-20)21(28)17-4-3-11-25-22(17)23;1-15-6-2-3-7-16(15)19-14-27(13-12-24-19)20-10-4-9-18(26-20)21(28)17-8-5-11-25-22(17)23;1-12(2)10-13-11-28(9-8-25-13)16-6-5-15(20(21,22)23)17(27-16)18(29)14-4-3-7-26-19(14)24;1-11(2)15-10-12(5-8-24-15)14-6-9-27(19(20,21)22)18(26-14)16(28)13-4-3-7-25-17(13)23/h3-11,19,25H,12-14H2,1-2H3,(H2,24,26);2-10,13,19,24H,11-12,14H2,1H3,(H2,23,25);2*2-11,19,24H,12-14H2,1H3,(H2,23,25);3-7,12-13,25H,8-11H2,1-2H3,(H2,24,26);3-4,6-7,9,11-12,15,24H,5,8,10H2,1-2H3,(H-,23,25,28)/p+1/t;;;;13-;12?,15-/m....01/s1
InChIKeyKMLCPDAAMJAQFS-FVKQMVCOSA-O
MW2309.73 g/mol
LogP16.98
Rot. Bonds25

About (2-amino-3-pyridinyl)-[6-[3-(2,6-dimethylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(4-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[4-[(2R)-2-propan-2-ylpiperidin-4-yl]-1-(trifluoromethyl)pyrimidin-1-ium-2-yl]methanone

(2-amino-3-pyridinyl)-[6-[3-(2,6-dimethylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(4-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[4-[(2R)-2-propan-2-ylpiperidin-4-yl]-1-(trifluoromethyl)pyrimidin-1-ium-2-yl]methanone (PubChem CID 158635496) has the molecular formula C128H141F6N30O6+ and a molecular weight of 2309.73 g/mol. Its IUPAC name is (2-amino-3-pyridinyl)-[6-[3-(2,6-dimethylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(4-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[4-[(2R)-2-propan-2-ylpiperidin-4-yl]-1-(trifluoromethyl)pyrimidin-1-ium-2-yl]methanone.

Molecular Properties

Compound Name(2-amino-3-pyridinyl)-[6-[3-(2,6-dimethylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(4-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[4-[(2R)-2-propan-2-ylpiperidin-4-yl]-1-(trifluoromethyl)pyrimidin-1-ium-2-yl]methanone
PubChem CID158635496
Molecular FormulaC128H141F6N30O6+
Molecular Weight2309.73 g/mol
Exact Mass2308.15
IUPAC Name(2-amino-3-pyridinyl)-[6-[3-(2,6-dimethylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(4-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[4-[(2R)-2-propan-2-ylpiperidin-4-yl]-1-(trifluoromethyl)pyrimidin-1-ium-2-yl]methanone
SMILESCC(C)C[C@H]1CN(c2ccc(C(F)(F)F)c(C(=O)c3cccnc3N)n2)CCN1.CC(C)[C@H]1CC(c2cc[n+](C(F)(F)F)c(C(=O)c3cccnc3N)n2)CCN1.Cc1ccc(C2CN(c3cccc(C(=O)c4cccnc4N)n3)CCN2)cc1.Cc1cccc(C)c1C1CN(c2cccc(C(=O)c3cccnc3N)n2)CCN1.Cc1cccc(C2CN(c3cccc(C(=O)c4cccnc4N)n3)CCN2)c1.Cc1ccccc1C1CN(c2cccc(C(=O)c3cccnc3N)n2)CCN1
InChIInChI=1S/C23H25N5O.3C22H23N5O.C20H24F3N5O.C19H22F3N5O/c1-15-6-3-7-16(2)21(15)19-14-28(13-12-25-19)20-10-4-9-18(27-20)22(29)17-8-5-11-26-23(17)24;1-15-5-2-6-16(13-15)19-14-27(12-11-24-19)20-9-3-8-18(26-20)21(28)17-7-4-10-25-22(17)23;1-15-7-9-16(10-8-15)19-14-27(13-12-24-19)20-6-2-5-18(26-20)21(28)17-4-3-11-25-22(17)23;1-15-6-2-3-7-16(15)19-14-27(13-12-24-19)20-10-4-9-18(26-20)21(28)17-8-5-11-25-22(17)23;1-12(2)10-13-11-28(9-8-25-13)16-6-5-15(20(21,22)23)17(27-16)18(29)14-4-3-7-26-19(14)24;1-11(2)15-10-12(5-8-24-15)14-6-9-27(19(20,21)22)18(26-14)16(28)13-4-3-7-25-17(13)23/h3-11,19,25H,12-14H2,1-2H3,(H2,24,26);2-10,13,19,24H,11-12,14H2,1H3,(H2,23,25);2*2-11,19,24H,12-14H2,1H3,(H2,23,25);3-7,12-13,25H,8-11H2,1-2H3,(H2,24,26);3-4,6-7,9,11-12,15,24H,5,8,10H2,1-2H3,(H-,23,25,28)/p+1/t;;;;13-;12?,15-/m....01/s1
InChIKeyKMLCPDAAMJAQFS-FVKQMVCOSA-O
XLogP16.98
TPSA505.48 Ų
H-Bond Donors12
H-Bond Acceptors35
Rotatable Bonds25
Heavy Atoms170
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002309.73
LogP ≤ 516.98
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze (2-amino-3-pyridinyl)-[6-[3-(2,6-dimethylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(4-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[4-[(2R)-2-propan-2-ylpiperidin-4-yl]-1-(trifluoromethyl)pyrimidin-1-ium-2-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2-amino-3-pyridinyl)-[6-[3-(2,6-dimethylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(4-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[4-[(2R)-2-propan-2-ylpiperidin-4-yl]-1-(trifluoromethyl)pyrimidin-1-ium-2-yl]methanone?
The IUPAC name of (2-amino-3-pyridinyl)-[6-[3-(2,6-dimethylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(4-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[4-[(2R)-2-propan-2-ylpiperidin-4-yl]-1-(trifluoromethyl)pyrimidin-1-ium-2-yl]methanone (CID 158635496) is (2-amino-3-pyridinyl)-[6-[3-(2,6-dimethylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(4-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[4-[(2R)-2-propan-2-ylpiperidin-4-yl]-1-(trifluoromethyl)pyrimidin-1-ium-2-yl]methanone.
What is the SMILES notation for (2-amino-3-pyridinyl)-[6-[3-(2,6-dimethylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(4-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[4-[(2R)-2-propan-2-ylpiperidin-4-yl]-1-(trifluoromethyl)pyrimidin-1-ium-2-yl]methanone?
The canonical SMILES for (2-amino-3-pyridinyl)-[6-[3-(2,6-dimethylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(4-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[4-[(2R)-2-propan-2-ylpiperidin-4-yl]-1-(trifluoromethyl)pyrimidin-1-ium-2-yl]methanone is CC(C)C[C@H]1CN(c2ccc(C(F)(F)F)c(C(=O)c3cccnc3N)n2)CCN1.CC(C)[C@H]1CC(c2cc[n+](C(F)(F)F)c(C(=O)c3cccnc3N)n2)CCN1.Cc1ccc(C2CN(c3cccc(C(=O)c4cccnc4N)n3)CCN2)cc1.Cc1cccc(C)c1C1CN(c2cccc(C(=O)c3cccnc3N)n2)CCN1.Cc1cccc(C2CN(c3cccc(C(=O)c4cccnc4N)n3)CCN2)c1.Cc1ccccc1C1CN(c2cccc(C(=O)c3cccnc3N)n2)CCN1.
What is the InChIKey of (2-amino-3-pyridinyl)-[6-[3-(2,6-dimethylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(4-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[4-[(2R)-2-propan-2-ylpiperidin-4-yl]-1-(trifluoromethyl)pyrimidin-1-ium-2-yl]methanone?
The InChIKey is KMLCPDAAMJAQFS-FVKQMVCOSA-O. The full InChI is InChI=1S/C23H25N5O.3C22H23N5O.C20H24F3N5O.C19H22F3N5O/c1-15-6-3-7-16(2)21(15)19-14-28(13-12-25-19)20-10-4-9-18(27-20)22(29)17-8-5-11-26-23(17)24;1-15-5-2-6-16(13-15)19-14-27(12-11-24-19)20-9-3-8-18(26-20)21(28)17-7-4-10-25-22(17)23;1-15-7-9-16(10-8-15)19-14-27(13-12-24-19)20-6-2-5-18(26-20)21(28)17-4-3-11-25-22(17)23;1-15-6-2-3-7-16(15)19-14-27(13-12-24-19)20-10-4-9-18(26-20)21(28)17-8-5-11-25-22(17)23;1-12(2)10-13-11-28(9-8-25-13)16-6-5-15(20(21,22)23)17(27-16)18(29)14-4-3-7-26-19(14)24;1-11(2)15-10-12(5-8-24-15)14-6-9-27(19(20,21)22)18(26-14)16(28)13-4-3-7-25-17(13)23/h3-11,19,25H,12-14H2,1-2H3,(H2,24,26);2-10,13,19,24H,11-12,14H2,1H3,(H2,23,25);2*2-11,19,24H,12-14H2,1H3,(H2,23,25);3-7,12-13,25H,8-11H2,1-2H3,(H2,24,26);3-4,6-7,9,11-12,15,24H,5,8,10H2,1-2H3,(H-,23,25,28)/p+1/t;;;;13-;12?,15-/m....01/s1.
What are the key properties of (2-amino-3-pyridinyl)-[6-[3-(2,6-dimethylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(4-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[4-[(2R)-2-propan-2-ylpiperidin-4-yl]-1-(trifluoromethyl)pyrimidin-1-ium-2-yl]methanone?
(2-amino-3-pyridinyl)-[6-[3-(2,6-dimethylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(4-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[4-[(2R)-2-propan-2-ylpiperidin-4-yl]-1-(trifluoromethyl)pyrimidin-1-ium-2-yl]methanone has a molecular weight of 2309.73 g/mol, XLogP of 16.98, 25 rotatable bonds, 12 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-pyridinyl)-[6-[3-(2,6-dimethylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(4-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[4-[(2R)-2-propan-2-ylpiperidin-4-yl]-1-(trifluoromethyl)pyrimidin-1-ium-2-yl]methanone is sourced from PubChem (CID 158635496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).