N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]pyridine-4-carboxamide;2-(1H-indol-3-yl)acetic acid

C29H24ClN3O4 — CID 175310317

About N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]pyridine-4-carboxamide;2-(1H-indol-3-yl)acetic acid

N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]pyridine-4-carboxamide;2-(1H-indol-3-yl)acetic acid (PubChem CID 175310317) has the molecular formula C29H24ClN3O4 and a molecular weight of 513.98 g/mol. Its IUPAC name is N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]pyridine-4-carboxamide;2-(1H-indol-3-yl)acetic acid.

Molecular Properties

• Compound Name: N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]pyridine-4-carboxamide;2-(1H-indol-3-yl)acetic acid
• PubChem CID: 175310317
• Molecular Formula: C29H24ClN3O4
• Molecular Weight: 513.98 g/mol
• Exact Mass: 513.15
• IUPAC Name: N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]pyridine-4-carboxamide;2-(1H-indol-3-yl)acetic acid
• SMILES: O=C(Nc1ccc(Cl)cc1C(O)c1ccccc1)c1ccncc1.O=C(O)Cc1c[nH]c2ccccc12
• InChI: InChI=1S/C19H15ClN2O2.C10H9NO2/c20-15-6-7-17(22-19(24)14-8-10-21-11-9-14)16(12-15)18(23)13-4-2-1-3-5-13;12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-12,18,23H,(H,22,24);1-4,6,11H,5H2,(H,12,13)
• InChIKey: WTQJDPMLARSZCD-UHFFFAOYSA-N
• XLogP: 5.86
• TPSA: 115.31 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	513.98
LogP ≤ 5	5.86
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]pyridine-4-carboxamide;2-(1H-indol-3-yl)acetic acid?

The IUPAC name of N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]pyridine-4-carboxamide;2-(1H-indol-3-yl)acetic acid (CID 175310317) is N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]pyridine-4-carboxamide;2-(1H-indol-3-yl)acetic acid.

What is the SMILES notation for N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]pyridine-4-carboxamide;2-(1H-indol-3-yl)acetic acid?

The canonical SMILES for N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]pyridine-4-carboxamide;2-(1H-indol-3-yl)acetic acid is O=C(Nc1ccc(Cl)cc1C(O)c1ccccc1)c1ccncc1.O=C(O)Cc1c[nH]c2ccccc12.

What is the InChIKey of N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]pyridine-4-carboxamide;2-(1H-indol-3-yl)acetic acid?

The InChIKey is WTQJDPMLARSZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O2.C10H9NO2/c20-15-6-7-17(22-19(24)14-8-10-21-11-9-14)16(12-15)18(23)13-4-2-1-3-5-13;12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-12,18,23H,(H,22,24);1-4,6,11H,5H2,(H,12,13).

What are the key properties of N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]pyridine-4-carboxamide;2-(1H-indol-3-yl)acetic acid?

N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]pyridine-4-carboxamide;2-(1H-indol-3-yl)acetic acid has a molecular weight of 513.98 g/mol, XLogP of 5.86, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]pyridine-4-carboxamide;2-(1H-indol-3-yl)acetic acid is sourced from PubChem (CID 175310317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).