6-chloropyridine-2-carboxylic acid;6-chloro-N-pyridin-4-ylpyridine-2-carboxamide;6-(1,4-diazepan-1-yl)-N-pyridin-4-ylpyridine-2-carboxamide;6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-N-pyridin-4-ylpyridine-2-carboxamide

C57H65Cl2N15O5 — CID 157438810

About 6-chloropyridine-2-carboxylic acid;6-chloro-N-pyridin-4-ylpyridine-2-carboxamide;6-(1,4-diazepan-1-yl)-N-pyridin-4-ylpyridine-2-carboxamide;6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-N-pyridin-4-ylpyridine-2-carboxamide

6-chloropyridine-2-carboxylic acid;6-chloro-N-pyridin-4-ylpyridine-2-carboxamide;6-(1,4-diazepan-1-yl)-N-pyridin-4-ylpyridine-2-carboxamide;6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-N-pyridin-4-ylpyridine-2-carboxamide (PubChem CID 157438810) has the molecular formula C57H65Cl2N15O5 and a molecular weight of 1111.15 g/mol. Its IUPAC name is 6-chloropyridine-2-carboxylic acid;6-chloro-N-pyridin-4-ylpyridine-2-carboxamide;6-(1,4-diazepan-1-yl)-N-pyridin-4-ylpyridine-2-carboxamide;6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-N-pyridin-4-ylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-chloropyridine-2-carboxylic acid;6-chloro-N-pyridin-4-ylpyridine-2-carboxamide;6-(1,4-diazepan-1-yl)-N-pyridin-4-ylpyridine-2-carboxamide;6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-N-pyridin-4-ylpyridine-2-carboxamide
• PubChem CID: 157438810
• Molecular Formula: C57H65Cl2N15O5
• Molecular Weight: 1111.15 g/mol
• Exact Mass: 1109.47
• IUPAC Name: 6-chloropyridine-2-carboxylic acid;6-chloro-N-pyridin-4-ylpyridine-2-carboxamide;6-(1,4-diazepan-1-yl)-N-pyridin-4-ylpyridine-2-carboxamide;6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-N-pyridin-4-ylpyridine-2-carboxamide
• SMILES: CC(C)N1CCC(N2CCCN(c3cccc(C(=O)Nc4ccncc4)n3)CC2)CC1.O=C(Nc1ccncc1)c1cccc(Cl)n1.O=C(Nc1ccncc1)c1cccc(N2CCCNCC2)n1.O=C(O)c1cccc(Cl)n1
• InChI: InChI=1S/C24H34N6O.C16H19N5O.C11H8ClN3O.C6H4ClNO2/c1-19(2)28-15-9-21(10-16-28)29-13-4-14-30(18-17-29)23-6-3-5-22(27-23)24(31)26-20-7-11-25-12-8-20;22-16(19-13-5-8-18-9-6-13)14-3-1-4-15(20-14)21-11-2-7-17-10-12-21;12-10-3-1-2-9(15-10)11(16)14-8-4-6-13-7-5-8;7-5-3-1-2-4(8-5)6(9)10/h3,5-8,11-12,19,21H,4,9-10,13-18H2,1-2H3,(H,25,26,31);1,3-6,8-9,17H,2,7,10-12H2,(H,18,19,22);1-7H,(H,13,14,16);1-3H,(H,9,10)
• InChIKey: BRKQAHROJQDZAG-UHFFFAOYSA-N
• XLogP: 8.46
• TPSA: 239.82 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 11
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1111.15
LogP ≤ 5	8.46
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloropyridine-2-carboxylic acid;6-chloro-N-pyridin-4-ylpyridine-2-carboxamide;6-(1,4-diazepan-1-yl)-N-pyridin-4-ylpyridine-2-carboxamide;6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-N-pyridin-4-ylpyridine-2-carboxamide?

The IUPAC name of 6-chloropyridine-2-carboxylic acid;6-chloro-N-pyridin-4-ylpyridine-2-carboxamide;6-(1,4-diazepan-1-yl)-N-pyridin-4-ylpyridine-2-carboxamide;6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-N-pyridin-4-ylpyridine-2-carboxamide (CID 157438810) is 6-chloropyridine-2-carboxylic acid;6-chloro-N-pyridin-4-ylpyridine-2-carboxamide;6-(1,4-diazepan-1-yl)-N-pyridin-4-ylpyridine-2-carboxamide;6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-N-pyridin-4-ylpyridine-2-carboxamide.

What is the SMILES notation for 6-chloropyridine-2-carboxylic acid;6-chloro-N-pyridin-4-ylpyridine-2-carboxamide;6-(1,4-diazepan-1-yl)-N-pyridin-4-ylpyridine-2-carboxamide;6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-N-pyridin-4-ylpyridine-2-carboxamide?

The canonical SMILES for 6-chloropyridine-2-carboxylic acid;6-chloro-N-pyridin-4-ylpyridine-2-carboxamide;6-(1,4-diazepan-1-yl)-N-pyridin-4-ylpyridine-2-carboxamide;6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-N-pyridin-4-ylpyridine-2-carboxamide is CC(C)N1CCC(N2CCCN(c3cccc(C(=O)Nc4ccncc4)n3)CC2)CC1.O=C(Nc1ccncc1)c1cccc(Cl)n1.O=C(Nc1ccncc1)c1cccc(N2CCCNCC2)n1.O=C(O)c1cccc(Cl)n1.

What is the InChIKey of 6-chloropyridine-2-carboxylic acid;6-chloro-N-pyridin-4-ylpyridine-2-carboxamide;6-(1,4-diazepan-1-yl)-N-pyridin-4-ylpyridine-2-carboxamide;6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-N-pyridin-4-ylpyridine-2-carboxamide?

The InChIKey is BRKQAHROJQDZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O.C16H19N5O.C11H8ClN3O.C6H4ClNO2/c1-19(2)28-15-9-21(10-16-28)29-13-4-14-30(18-17-29)23-6-3-5-22(27-23)24(31)26-20-7-11-25-12-8-20;22-16(19-13-5-8-18-9-6-13)14-3-1-4-15(20-14)21-11-2-7-17-10-12-21;12-10-3-1-2-9(15-10)11(16)14-8-4-6-13-7-5-8;7-5-3-1-2-4(8-5)6(9)10/h3,5-8,11-12,19,21H,4,9-10,13-18H2,1-2H3,(H,25,26,31);1,3-6,8-9,17H,2,7,10-12H2,(H,18,19,22);1-7H,(H,13,14,16);1-3H,(H,9,10).

What are the key properties of 6-chloropyridine-2-carboxylic acid;6-chloro-N-pyridin-4-ylpyridine-2-carboxamide;6-(1,4-diazepan-1-yl)-N-pyridin-4-ylpyridine-2-carboxamide;6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-N-pyridin-4-ylpyridine-2-carboxamide?

6-chloropyridine-2-carboxylic acid;6-chloro-N-pyridin-4-ylpyridine-2-carboxamide;6-(1,4-diazepan-1-yl)-N-pyridin-4-ylpyridine-2-carboxamide;6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-N-pyridin-4-ylpyridine-2-carboxamide has a molecular weight of 1111.15 g/mol, XLogP of 8.46, 11 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloropyridine-2-carboxylic acid;6-chloro-N-pyridin-4-ylpyridine-2-carboxamide;6-(1,4-diazepan-1-yl)-N-pyridin-4-ylpyridine-2-carboxamide;6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-N-pyridin-4-ylpyridine-2-carboxamide is sourced from PubChem (CID 157438810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).