6-(4-acetylpiperazin-1-yl)-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide;6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide;6-(4-hydroxypiperidin-1-yl)-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide

C65H73N23O5 — CID 158142882

IUPAC6-(4-acetylpiperazin-1-yl)-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide;6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide;6-(4-hydroxypiperidin-1-yl)-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide
SMILESCC(=O)N1CCN(c2ccc(C(=O)Nc3nc(C)nc(-c4ccccn4)n3)c(C)n2)CC1.Cc1nc(NC(=O)c2ccc(N3CCC(O)CC3)nc2C)nc(-c2ccccn2)n1.Cc1nc(NC(=O)c2ccc(N3C[C@@H](C)N[C@@H](C)C3)nc2C)nc(-c2ccccn2)n1
InChIInChI=1S/C22H24N8O2.C22H26N8O.C21H23N7O2/c1-14-17(7-8-19(24-14)30-12-10-29(11-13-30)16(3)31)21(32)28-22-26-15(2)25-20(27-22)18-6-4-5-9-23-18;1-13-11-30(12-14(2)24-13)19-9-8-17(15(3)25-19)21(31)29-22-27-16(4)26-20(28-22)18-7-5-6-10-23-18;1-13-16(6-7-18(23-13)28-11-8-15(29)9-12-28)20(30)27-21-25-14(2)24-19(26-21)17-5-3-4-10-22-17/h4-9H,10-13H2,1-3H3,(H,25,26,27,28,32);5-10,13-14,24H,11-12H2,1-4H3,(H,26,27,28,29,31);3-7,10,15,29H,8-9,11-12H2,1-2H3,(H,24,25,26,27,30)/t;13-,14+;
InChIKeyFUDSXTCFOLCZSH-INXADACWSA-N
MW1256.45 g/mol
LogP6.41
Rot. Bonds12

About 6-(4-acetylpiperazin-1-yl)-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide;6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide;6-(4-hydroxypiperidin-1-yl)-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide

6-(4-acetylpiperazin-1-yl)-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide;6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide;6-(4-hydroxypiperidin-1-yl)-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide (PubChem CID 158142882) has the molecular formula C65H73N23O5 and a molecular weight of 1256.45 g/mol. Its IUPAC name is 6-(4-acetylpiperazin-1-yl)-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide;6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide;6-(4-hydroxypiperidin-1-yl)-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-acetylpiperazin-1-yl)-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide;6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide;6-(4-hydroxypiperidin-1-yl)-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide
PubChem CID158142882
Molecular FormulaC65H73N23O5
Molecular Weight1256.45 g/mol
Exact Mass1255.62
IUPAC Name6-(4-acetylpiperazin-1-yl)-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide;6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide;6-(4-hydroxypiperidin-1-yl)-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide
SMILESCC(=O)N1CCN(c2ccc(C(=O)Nc3nc(C)nc(-c4ccccn4)n3)c(C)n2)CC1.Cc1nc(NC(=O)c2ccc(N3CCC(O)CC3)nc2C)nc(-c2ccccn2)n1.Cc1nc(NC(=O)c2ccc(N3C[C@@H](C)N[C@@H](C)C3)nc2C)nc(-c2ccccn2)n1
InChIInChI=1S/C22H24N8O2.C22H26N8O.C21H23N7O2/c1-14-17(7-8-19(24-14)30-12-10-29(11-13-30)16(3)31)21(32)28-22-26-15(2)25-20(27-22)18-6-4-5-9-23-18;1-13-11-30(12-14(2)24-13)19-9-8-17(15(3)25-19)21(31)29-22-27-16(4)26-20(28-22)18-7-5-6-10-23-18;1-13-16(6-7-18(23-13)28-11-8-15(29)9-12-28)20(30)27-21-25-14(2)24-19(26-21)17-5-3-4-10-22-17/h4-9H,10-13H2,1-3H3,(H,25,26,27,28,32);5-10,13-14,24H,11-12H2,1-4H3,(H,26,27,28,29,31);3-7,10,15,29H,8-9,11-12H2,1-2H3,(H,24,25,26,27,30)/t;13-,14+;
InChIKeyFUDSXTCFOLCZSH-INXADACWSA-N
XLogP6.41
TPSA342.94 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds12
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001256.45
LogP ≤ 56.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

Analyze 6-(4-acetylpiperazin-1-yl)-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide;6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide;6-(4-hydroxypiperidin-1-yl)-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylpiperazin-1-yl)-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide;6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide;6-(4-hydroxypiperidin-1-yl)-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-(4-acetylpiperazin-1-yl)-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide;6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide;6-(4-hydroxypiperidin-1-yl)-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide (CID 158142882) is 6-(4-acetylpiperazin-1-yl)-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide;6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide;6-(4-hydroxypiperidin-1-yl)-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-acetylpiperazin-1-yl)-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide;6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide;6-(4-hydroxypiperidin-1-yl)-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-(4-acetylpiperazin-1-yl)-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide;6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide;6-(4-hydroxypiperidin-1-yl)-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide is CC(=O)N1CCN(c2ccc(C(=O)Nc3nc(C)nc(-c4ccccn4)n3)c(C)n2)CC1.Cc1nc(NC(=O)c2ccc(N3CCC(O)CC3)nc2C)nc(-c2ccccn2)n1.Cc1nc(NC(=O)c2ccc(N3C[C@@H](C)N[C@@H](C)C3)nc2C)nc(-c2ccccn2)n1.
What is the InChIKey of 6-(4-acetylpiperazin-1-yl)-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide;6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide;6-(4-hydroxypiperidin-1-yl)-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide?
The InChIKey is FUDSXTCFOLCZSH-INXADACWSA-N. The full InChI is InChI=1S/C22H24N8O2.C22H26N8O.C21H23N7O2/c1-14-17(7-8-19(24-14)30-12-10-29(11-13-30)16(3)31)21(32)28-22-26-15(2)25-20(27-22)18-6-4-5-9-23-18;1-13-11-30(12-14(2)24-13)19-9-8-17(15(3)25-19)21(31)29-22-27-16(4)26-20(28-22)18-7-5-6-10-23-18;1-13-16(6-7-18(23-13)28-11-8-15(29)9-12-28)20(30)27-21-25-14(2)24-19(26-21)17-5-3-4-10-22-17/h4-9H,10-13H2,1-3H3,(H,25,26,27,28,32);5-10,13-14,24H,11-12H2,1-4H3,(H,26,27,28,29,31);3-7,10,15,29H,8-9,11-12H2,1-2H3,(H,24,25,26,27,30)/t;13-,14+;.
What are the key properties of 6-(4-acetylpiperazin-1-yl)-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide;6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide;6-(4-hydroxypiperidin-1-yl)-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide?
6-(4-acetylpiperazin-1-yl)-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide;6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide;6-(4-hydroxypiperidin-1-yl)-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide has a molecular weight of 1256.45 g/mol, XLogP of 6.41, 12 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetylpiperazin-1-yl)-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide;6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide;6-(4-hydroxypiperidin-1-yl)-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 158142882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).