3-(6-formyl-2-hydroxy-3-methoxyphenyl)-N-phenylpyridine-2-carboxamide

C20H16N2O4 — CID 102471812

IUPAC3-(6-formyl-2-hydroxy-3-methoxyphenyl)-N-phenylpyridine-2-carboxamide
SMILESCOc1ccc(C=O)c(-c2cccnc2C(=O)Nc2ccccc2)c1O
InChIInChI=1S/C20H16N2O4/c1-26-16-10-9-13(12-23)17(19(16)24)15-8-5-11-21-18(15)20(25)22-14-6-3-2-4-7-14/h2-12,24H,1H3,(H,22,25)
InChIKeyWCUBOJFIHOJTJC-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.53
Rot. Bonds5

About 3-(6-formyl-2-hydroxy-3-methoxyphenyl)-N-phenylpyridine-2-carboxamide

3-(6-formyl-2-hydroxy-3-methoxyphenyl)-N-phenylpyridine-2-carboxamide (PubChem CID 102471812) has the molecular formula C20H16N2O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is 3-(6-formyl-2-hydroxy-3-methoxyphenyl)-N-phenylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-(6-formyl-2-hydroxy-3-methoxyphenyl)-N-phenylpyridine-2-carboxamide
PubChem CID102471812
Molecular FormulaC20H16N2O4
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC Name3-(6-formyl-2-hydroxy-3-methoxyphenyl)-N-phenylpyridine-2-carboxamide
SMILESCOc1ccc(C=O)c(-c2cccnc2C(=O)Nc2ccccc2)c1O
InChIInChI=1S/C20H16N2O4/c1-26-16-10-9-13(12-23)17(19(16)24)15-8-5-11-21-18(15)20(25)22-14-6-3-2-4-7-14/h2-12,24H,1H3,(H,22,25)
InChIKeyWCUBOJFIHOJTJC-UHFFFAOYSA-N
XLogP3.53
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-4-methoxy-N-(4-phenoxyphenyl)pyridine-2-carboxamide
CID 11244594
3-hydroxy-4-methoxy-N-pyridin-2-ylpyridine-2-carboxamide
CID 21088884
4-formyl-7-methoxy-N-phenyl-1-benzofuran-2-carboxamide
CID 22733941
3-hydroxy-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 54860878
N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-3-phenylpyridine-2-carboxamide
CID 168786153
propan-2-yl N-[[2-[2-(phenylcarbamoyl)-3-pyridinyl]phenyl]methyl]carbamate
CID 142144649
2-[(4-bromo-3-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 82859559
3-amino-6-(2-methoxyphenyl)-N-phenylpyrazine-2-carboxamide
CID 52937257
3-(hydroxymethyl)-N-phenylpyridine-2-carboxamide
CID 10466316
4-methoxy-1-phenyl-N-pyridin-4-ylpyrazole-3-carboxamide
CID 17440224
3-hydroxy-N-(3-methoxy-4-sulfamoylphenyl)pyridine-2-carboxamide
CID 167828316
3-formyl-N-methylpyridine-2-carboxamide
CID 89245626

Frequently Asked Questions

What is the IUPAC name of 3-(6-formyl-2-hydroxy-3-methoxyphenyl)-N-phenylpyridine-2-carboxamide?
The IUPAC name of 3-(6-formyl-2-hydroxy-3-methoxyphenyl)-N-phenylpyridine-2-carboxamide (CID 102471812) is 3-(6-formyl-2-hydroxy-3-methoxyphenyl)-N-phenylpyridine-2-carboxamide.
What is the SMILES notation for 3-(6-formyl-2-hydroxy-3-methoxyphenyl)-N-phenylpyridine-2-carboxamide?
The canonical SMILES for 3-(6-formyl-2-hydroxy-3-methoxyphenyl)-N-phenylpyridine-2-carboxamide is COc1ccc(C=O)c(-c2cccnc2C(=O)Nc2ccccc2)c1O.
What is the InChIKey of 3-(6-formyl-2-hydroxy-3-methoxyphenyl)-N-phenylpyridine-2-carboxamide?
The InChIKey is WCUBOJFIHOJTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4/c1-26-16-10-9-13(12-23)17(19(16)24)15-8-5-11-21-18(15)20(25)22-14-6-3-2-4-7-14/h2-12,24H,1H3,(H,22,25).
What are the key properties of 3-(6-formyl-2-hydroxy-3-methoxyphenyl)-N-phenylpyridine-2-carboxamide?
3-(6-formyl-2-hydroxy-3-methoxyphenyl)-N-phenylpyridine-2-carboxamide has a molecular weight of 348.36 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-formyl-2-hydroxy-3-methoxyphenyl)-N-phenylpyridine-2-carboxamide is sourced from PubChem (CID 102471812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).