3-(naphthalen-1-ylcarbamoyl)pyridine-2-carboxylic acid

C17H12N2O3 — CID 71396226

IUPAC3-(naphthalen-1-ylcarbamoyl)pyridine-2-carboxylic acid
SMILESO=C(Nc1cccc2ccccc12)c1cccnc1C(=O)O
InChIInChI=1S/C17H12N2O3/c20-16(13-8-4-10-18-15(13)17(21)22)19-14-9-3-6-11-5-1-2-7-12(11)14/h1-10H,(H,19,20)(H,21,22)
InChIKeyVJWVRRTUERLODO-UHFFFAOYSA-N
MW292.29 g/mol
LogP3.19
Rot. Bonds3

About 3-(naphthalen-1-ylcarbamoyl)pyridine-2-carboxylic acid

3-(naphthalen-1-ylcarbamoyl)pyridine-2-carboxylic acid (PubChem CID 71396226) has the molecular formula C17H12N2O3 and a molecular weight of 292.29 g/mol. Its IUPAC name is 3-(naphthalen-1-ylcarbamoyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(naphthalen-1-ylcarbamoyl)pyridine-2-carboxylic acid
PubChem CID71396226
Molecular FormulaC17H12N2O3
Molecular Weight292.29 g/mol
Exact Mass292.08
IUPAC Name3-(naphthalen-1-ylcarbamoyl)pyridine-2-carboxylic acid
SMILESO=C(Nc1cccc2ccccc12)c1cccnc1C(=O)O
InChIInChI=1S/C17H12N2O3/c20-16(13-8-4-10-18-15(13)17(21)22)19-14-9-3-6-11-5-1-2-7-12(11)14/h1-10H,(H,19,20)(H,21,22)
InChIKeyVJWVRRTUERLODO-UHFFFAOYSA-N
XLogP3.19
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(naphthalen-1-ylcarbamoyl)benzoic acid
CID 67617466
3-fluoro-N-naphthalen-1-ylpyridine-2-carboxamide
CID 110474866
2-morpholin-4-yl-N-naphthalen-1-ylpyridine-3-carboxamide
CID 34000334
N-(2-bromo-3-pyridinyl)naphthalene-1-carboxamide
CID 103819240
N-(2-hydroxypropyl)-3-(naphthalene-1-carbonylamino)pyridine-2-carboxamide
CID 11595469
N-naphthalen-1-yl-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 22249311
2-(pyren-1-ylcarbamoyl)pyridine-3-carboxylic acid
CID 134087610
3-(pyridin-4-ylcarbamoyl)pyridine-2-carboxylic acid
CID 17296224
N-[2-(hydroxymethyl)phenyl]quinoline-8-carboxamide
CID 61497887
3-[(2-methoxybenzoyl)amino]pyridine-2-carboxylic acid
CID 104740315
2,4-diamino-N-naphthalen-1-ylpyrimidine-5-carboxamide
CID 122214609
3-hydroxy-N-naphthalen-1-ylpyridine-4-carboxamide
CID 81443161

Frequently Asked Questions

What is the IUPAC name of 3-(naphthalen-1-ylcarbamoyl)pyridine-2-carboxylic acid?
The IUPAC name of 3-(naphthalen-1-ylcarbamoyl)pyridine-2-carboxylic acid (CID 71396226) is 3-(naphthalen-1-ylcarbamoyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(naphthalen-1-ylcarbamoyl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(naphthalen-1-ylcarbamoyl)pyridine-2-carboxylic acid is O=C(Nc1cccc2ccccc12)c1cccnc1C(=O)O.
What is the InChIKey of 3-(naphthalen-1-ylcarbamoyl)pyridine-2-carboxylic acid?
The InChIKey is VJWVRRTUERLODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O3/c20-16(13-8-4-10-18-15(13)17(21)22)19-14-9-3-6-11-5-1-2-7-12(11)14/h1-10H,(H,19,20)(H,21,22).
What are the key properties of 3-(naphthalen-1-ylcarbamoyl)pyridine-2-carboxylic acid?
3-(naphthalen-1-ylcarbamoyl)pyridine-2-carboxylic acid has a molecular weight of 292.29 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(naphthalen-1-ylcarbamoyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 71396226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).