N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide

C₉₁H₈₅Cl₄N₁₉O₅ — CID 157099576

About N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide

N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide (PubChem CID 157099576) has the molecular formula C₉₁H₈₅Cl₄N₁₉O₅ and a molecular weight of 1666.62 g/mol. Its IUPAC name is N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide.

Molecular Properties

• Compound Name: N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide
• PubChem CID: 157099576
• Molecular Formula: C₉₁H₈₅Cl₄N₁₉O₅
• Molecular Weight: 1666.62 g/mol
• Exact Mass: 1663.57
• IUPAC Name: N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide
• SMILES: C[C@@H]1CN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cn2)CCN1.C[C@@H]1CN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cn2)C[C@H](C)N1.C[C@H]1CN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cn2)CCN1.O=C(Nc1cccnc1)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1
• InChI: InChI=1S/C24H17ClN4O2.C23H24ClN5O.2C22H22ClN5O/c25-21-11-10-18(14-20(21)22-5-1-2-13-27-22)28-23(30)16-6-8-17(9-7-16)24(31)29-19-4-3-12-26-15-19;1-15-13-29(14-16(2)27-15)22-9-6-17(12-26-22)23(30)28-18-7-8-20(24)19(11-18)21-5-3-4-10-25-21;2*1-15-14-28(11-10-24-15)21-8-5-16(13-26-21)22(29)27-17-6-7-19(23)18(12-17)20-4-2-3-9-25-20/h1-15H,(H,28,30)(H,29,31);3-12,15-16,27H,13-14H2,1-2H3,(H,28,30);2*2-9,12-13,15,24H,10-11,14H2,1H3,(H,27,29)/t;15-,16+;2*15-/m..10/s1
• InChIKey: AFPNBIPBMVLRFR-WHVUHWDASA-N
• XLogP: 17.23
• TPSA: 294.43 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 19
• Rotatable Bonds: 17
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1666.62
LogP ≤ 5	17.23
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide?

The IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide (CID 157099576) is N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide.

What is the SMILES notation for N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide?

The canonical SMILES for N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide is C[C@@H]1CN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cn2)CCN1.C[C@@H]1CN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cn2)C[C@H](C)N1.C[C@H]1CN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cn2)CCN1.O=C(Nc1cccnc1)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.

What is the InChIKey of N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide?

The InChIKey is AFPNBIPBMVLRFR-WHVUHWDASA-N. The full InChI is InChI=1S/C24H17ClN4O2.C23H24ClN5O.2C22H22ClN5O/c25-21-11-10-18(14-20(21)22-5-1-2-13-27-22)28-23(30)16-6-8-17(9-7-16)24(31)29-19-4-3-12-26-15-19;1-15-13-29(14-16(2)27-15)22-9-6-17(12-26-22)23(30)28-18-7-8-20(24)19(11-18)21-5-3-4-10-25-21;2*1-15-14-28(11-10-24-15)21-8-5-16(13-26-21)22(29)27-17-6-7-19(23)18(12-17)20-4-2-3-9-25-20/h1-15H,(H,28,30)(H,29,31);3-12,15-16,27H,13-14H2,1-2H3,(H,28,30);2*2-9,12-13,15,24H,10-11,14H2,1H3,(H,27,29)/t;15-,16+;2*15-/m..10/s1.

What are the key properties of N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide?

N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide has a molecular weight of 1666.62 g/mol, XLogP of 17.23, 17 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 157099576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157099576 — identifiers, structure, computed properties (public domain)

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