N-benzyl-2-hydroxy-1-phenylpyrrolo[2,3-b]pyridine-3-carboxamide

C21H17N3O2 — CID 14987229

IUPACN-benzyl-2-hydroxy-1-phenylpyrrolo[2,3-b]pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1c(O)n(-c2ccccc2)c2ncccc12
InChIInChI=1S/C21H17N3O2/c25-20(23-14-15-8-3-1-4-9-15)18-17-12-7-13-22-19(17)24(21(18)26)16-10-5-2-6-11-16/h1-13,26H,14H2,(H,23,25)
InChIKeyQRVJXZPNPMQZFE-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.66
Rot. Bonds4

About N-benzyl-2-hydroxy-1-phenylpyrrolo[2,3-b]pyridine-3-carboxamide

N-benzyl-2-hydroxy-1-phenylpyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 14987229) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-benzyl-2-hydroxy-1-phenylpyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-hydroxy-1-phenylpyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID14987229
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC NameN-benzyl-2-hydroxy-1-phenylpyrrolo[2,3-b]pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1c(O)n(-c2ccccc2)c2ncccc12
InChIInChI=1S/C21H17N3O2/c25-20(23-14-15-8-3-1-4-9-15)18-17-12-7-13-22-19(17)24(21(18)26)16-10-5-2-6-11-16/h1-13,26H,14H2,(H,23,25)
InChIKeyQRVJXZPNPMQZFE-UHFFFAOYSA-N
XLogP3.66
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide
CID 54733631
N-benzyl-1-(3-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727044
N-benzyl-3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanamide
CID 6622635
N-benzyl-2,3-dihydroxy-1-oxoisoquinoline-4-carboxamide
CID 137064384
4-hydroxy-N-methyl-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide
CID 54722014
N-benzyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide
CID 20916242
1-benzyl-N-[(2-chlorophenyl)methyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727033
N-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727072
4-hydroxy-2-oxo-1-phenyl-N-pyridin-2-yl-1,8-naphthyridine-3-carboxamide
CID 54722015
1-(4-fluorophenyl)-4-hydroxy-N-[(2-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54726984
N-benzyl-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 129214459
N-benzyl-3-hydroxy-1-oxo-2-phenylmethoxyisoquinoline-4-carboxamide
CID 137049892

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-hydroxy-1-phenylpyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-benzyl-2-hydroxy-1-phenylpyrrolo[2,3-b]pyridine-3-carboxamide (CID 14987229) is N-benzyl-2-hydroxy-1-phenylpyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-2-hydroxy-1-phenylpyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-2-hydroxy-1-phenylpyrrolo[2,3-b]pyridine-3-carboxamide is O=C(NCc1ccccc1)c1c(O)n(-c2ccccc2)c2ncccc12.
What is the InChIKey of N-benzyl-2-hydroxy-1-phenylpyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is QRVJXZPNPMQZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c25-20(23-14-15-8-3-1-4-9-15)18-17-12-7-13-22-19(17)24(21(18)26)16-10-5-2-6-11-16/h1-13,26H,14H2,(H,23,25).
What are the key properties of N-benzyl-2-hydroxy-1-phenylpyrrolo[2,3-b]pyridine-3-carboxamide?
N-benzyl-2-hydroxy-1-phenylpyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-hydroxy-1-phenylpyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 14987229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).