N-[2-chloro-3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]phenyl]-5-methylpyridine-2-carboxamide

C26H19Cl2N3O3 — CID 175513110

About N-[2-chloro-3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]phenyl]-5-methylpyridine-2-carboxamide

N-[2-chloro-3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]phenyl]-5-methylpyridine-2-carboxamide (PubChem CID 175513110) has the molecular formula C26H19Cl2N3O3 and a molecular weight of 492.36 g/mol. Its IUPAC name is N-[2-chloro-3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]phenyl]-5-methylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-chloro-3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]phenyl]-5-methylpyridine-2-carboxamide
• PubChem CID: 175513110
• Molecular Formula: C26H19Cl2N3O3
• Molecular Weight: 492.36 g/mol
• Exact Mass: 491.08
• IUPAC Name: N-[2-chloro-3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]phenyl]-5-methylpyridine-2-carboxamide
• SMILES: COc1cc(-c2nccc(-c3cccc(NC(=O)c4ccc(C)cn4)c3Cl)c2Cl)ccc1C=O
• InChI: InChI=1S/C26H19Cl2N3O3/c1-15-6-9-21(30-13-15)26(33)31-20-5-3-4-18(23(20)27)19-10-11-29-25(24(19)28)16-7-8-17(14-32)22(12-16)34-2/h3-14H,1-2H3,(H,31,33)
• InChIKey: KPFBMAHIGRGCNN-UHFFFAOYSA-N
• XLogP: 6.50
• TPSA: 81.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.36
LogP ≤ 5	6.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]phenyl]-5-methylpyridine-2-carboxamide?

The IUPAC name of N-[2-chloro-3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]phenyl]-5-methylpyridine-2-carboxamide (CID 175513110) is N-[2-chloro-3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]phenyl]-5-methylpyridine-2-carboxamide.

What is the SMILES notation for N-[2-chloro-3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]phenyl]-5-methylpyridine-2-carboxamide?

The canonical SMILES for N-[2-chloro-3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]phenyl]-5-methylpyridine-2-carboxamide is COc1cc(-c2nccc(-c3cccc(NC(=O)c4ccc(C)cn4)c3Cl)c2Cl)ccc1C=O.

What is the InChIKey of N-[2-chloro-3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]phenyl]-5-methylpyridine-2-carboxamide?

The InChIKey is KPFBMAHIGRGCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19Cl2N3O3/c1-15-6-9-21(30-13-15)26(33)31-20-5-3-4-18(23(20)27)19-10-11-29-25(24(19)28)16-7-8-17(14-32)22(12-16)34-2/h3-14H,1-2H3,(H,31,33).

What are the key properties of N-[2-chloro-3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]phenyl]-5-methylpyridine-2-carboxamide?

N-[2-chloro-3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]phenyl]-5-methylpyridine-2-carboxamide has a molecular weight of 492.36 g/mol, XLogP of 6.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]phenyl]-5-methylpyridine-2-carboxamide is sourced from PubChem (CID 175513110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).