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

C26H17Cl2N3O4 — CID 170696891

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

N-[2-chloro-3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]phenyl]-5-formylpyridine-2-carboxamide (PubChem CID 170696891) has the molecular formula C26H17Cl2N3O4 and a molecular weight of 506.35 g/mol. Its IUPAC name is N-[2-chloro-3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]phenyl]-5-formylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-chloro-3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]phenyl]-5-formylpyridine-2-carboxamide
• PubChem CID: 170696891
• Molecular Formula: C26H17Cl2N3O4
• Molecular Weight: 506.35 g/mol
• Exact Mass: 505.06
• IUPAC Name: N-[2-chloro-3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]phenyl]-5-formylpyridine-2-carboxamide
• SMILES: COc1cc(-c2nccc(-c3cccc(NC(=O)c4ccc(C=O)cn4)c3Cl)c2Cl)ccc1C=O
• InChI: InChI=1S/C26H17Cl2N3O4/c1-35-22-11-16(6-7-17(22)14-33)25-24(28)19(9-10-29-25)18-3-2-4-20(23(18)27)31-26(34)21-8-5-15(13-32)12-30-21/h2-14H,1H3,(H,31,34)
• InChIKey: ZHIJFBOMDXFTET-UHFFFAOYSA-N
• XLogP: 6.00
• TPSA: 98.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.35
LogP ≤ 5	6.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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-formylpyridine-2-carboxamide?

The IUPAC name of N-[2-chloro-3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]phenyl]-5-formylpyridine-2-carboxamide (CID 170696891) is N-[2-chloro-3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]phenyl]-5-formylpyridine-2-carboxamide.

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

The canonical SMILES for N-[2-chloro-3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]phenyl]-5-formylpyridine-2-carboxamide is COc1cc(-c2nccc(-c3cccc(NC(=O)c4ccc(C=O)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-formylpyridine-2-carboxamide?

The InChIKey is ZHIJFBOMDXFTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17Cl2N3O4/c1-35-22-11-16(6-7-17(22)14-33)25-24(28)19(9-10-29-25)18-3-2-4-20(23(18)27)31-26(34)21-8-5-15(13-32)12-30-21/h2-14H,1H3,(H,31,34).

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

N-[2-chloro-3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]phenyl]-5-formylpyridine-2-carboxamide has a molecular weight of 506.35 g/mol, XLogP of 6.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 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-formylpyridine-2-carboxamide is sourced from PubChem (CID 170696891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).