N-(4-chloro-3-pyridin-2-ylphenyl)-6-[4-(2-hydroxyacetyl)piperazin-1-yl]-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(3-methylpiperazin-1-yl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide

C93H96Cl4N20O6 — CID 157484141

About N-(4-chloro-3-pyridin-2-ylphenyl)-6-[4-(2-hydroxyacetyl)piperazin-1-yl]-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(3-methylpiperazin-1-yl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide

N-(4-chloro-3-pyridin-2-ylphenyl)-6-[4-(2-hydroxyacetyl)piperazin-1-yl]-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(3-methylpiperazin-1-yl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide (PubChem CID 157484141) has the molecular formula C93H96Cl4N20O6 and a molecular weight of 1731.74 g/mol. Its IUPAC name is N-(4-chloro-3-pyridin-2-ylphenyl)-6-[4-(2-hydroxyacetyl)piperazin-1-yl]-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(3-methylpiperazin-1-yl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(4-chloro-3-pyridin-2-ylphenyl)-6-[4-(2-hydroxyacetyl)piperazin-1-yl]-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(3-methylpiperazin-1-yl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide
• PubChem CID: 157484141
• Molecular Formula: C93H96Cl4N20O6
• Molecular Weight: 1731.74 g/mol
• Exact Mass: 1728.66
• IUPAC Name: N-(4-chloro-3-pyridin-2-ylphenyl)-6-[4-(2-hydroxyacetyl)piperazin-1-yl]-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(3-methylpiperazin-1-yl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide
• SMILES: Cc1nc(N2CCN(C(=O)CO)CC2)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1.Cc1nc(N2CCNC(C)C2)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1.Cc1nc(N2CCN[C@@H](C)C2)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1.Cc1nc(N2CCN[C@H](C)C2)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1
• InChI: InChI=1S/C24H24ClN5O3.3C23H24ClN5O/c1-16-18(6-8-22(27-16)29-10-12-30(13-11-29)23(32)15-31)24(33)28-17-5-7-20(25)19(14-17)21-4-2-3-9-26-21;3*1-15-14-29(12-11-25-15)22-9-7-18(16(2)27-22)23(30)28-17-6-8-20(24)19(13-17)21-5-3-4-10-26-21/h2-9,14,31H,10-13,15H2,1H3,(H,28,33);3*3-10,13,15,25H,11-12,14H2,1-2H3,(H,28,30)/t;2*15-;/m.10./s1
• InChIKey: BWMVYBIVLNNMKJ-NMAMMXOQSA-N
• XLogP: 15.47
• TPSA: 309.11 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 21
• Rotatable Bonds: 17
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1731.74
LogP ≤ 5	15.47
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-6-[4-(2-hydroxyacetyl)piperazin-1-yl]-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(3-methylpiperazin-1-yl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide?

The IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-6-[4-(2-hydroxyacetyl)piperazin-1-yl]-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(3-methylpiperazin-1-yl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide (CID 157484141) is N-(4-chloro-3-pyridin-2-ylphenyl)-6-[4-(2-hydroxyacetyl)piperazin-1-yl]-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(3-methylpiperazin-1-yl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide.

What is the SMILES notation for N-(4-chloro-3-pyridin-2-ylphenyl)-6-[4-(2-hydroxyacetyl)piperazin-1-yl]-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(3-methylpiperazin-1-yl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide?

The canonical SMILES for N-(4-chloro-3-pyridin-2-ylphenyl)-6-[4-(2-hydroxyacetyl)piperazin-1-yl]-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(3-methylpiperazin-1-yl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide is Cc1nc(N2CCN(C(=O)CO)CC2)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1.Cc1nc(N2CCNC(C)C2)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1.Cc1nc(N2CCN[C@@H](C)C2)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1.Cc1nc(N2CCN[C@H](C)C2)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1.

What is the InChIKey of N-(4-chloro-3-pyridin-2-ylphenyl)-6-[4-(2-hydroxyacetyl)piperazin-1-yl]-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(3-methylpiperazin-1-yl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide?

The InChIKey is BWMVYBIVLNNMKJ-NMAMMXOQSA-N. The full InChI is InChI=1S/C24H24ClN5O3.3C23H24ClN5O/c1-16-18(6-8-22(27-16)29-10-12-30(13-11-29)23(32)15-31)24(33)28-17-5-7-20(25)19(14-17)21-4-2-3-9-26-21;3*1-15-14-29(12-11-25-15)22-9-7-18(16(2)27-22)23(30)28-17-6-8-20(24)19(13-17)21-5-3-4-10-26-21/h2-9,14,31H,10-13,15H2,1H3,(H,28,33);3*3-10,13,15,25H,11-12,14H2,1-2H3,(H,28,30)/t;2*15-;/m.10./s1.

What are the key properties of N-(4-chloro-3-pyridin-2-ylphenyl)-6-[4-(2-hydroxyacetyl)piperazin-1-yl]-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(3-methylpiperazin-1-yl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide?

N-(4-chloro-3-pyridin-2-ylphenyl)-6-[4-(2-hydroxyacetyl)piperazin-1-yl]-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(3-methylpiperazin-1-yl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 1731.74 g/mol, XLogP of 15.47, 17 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chloro-3-pyridin-2-ylphenyl)-6-[4-(2-hydroxyacetyl)piperazin-1-yl]-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(3-methylpiperazin-1-yl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 157484141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).