2-(2,3-dihydro-1H-indene-5-carbonylamino)pyridine-3-carboxylic acid

C16H14N2O3 — CID 63652531

IUPAC2-(2,3-dihydro-1H-indene-5-carbonylamino)pyridine-3-carboxylic acid
SMILESO=C(Nc1ncccc1C(=O)O)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H14N2O3/c19-15(12-7-6-10-3-1-4-11(10)9-12)18-14-13(16(20)21)5-2-8-17-14/h2,5-9H,1,3-4H2,(H,20,21)(H,17,18,19)
InChIKeyCWQSAKQRSHNXIW-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.52
Rot. Bonds3

About 2-(2,3-dihydro-1H-indene-5-carbonylamino)pyridine-3-carboxylic acid

2-(2,3-dihydro-1H-indene-5-carbonylamino)pyridine-3-carboxylic acid (PubChem CID 63652531) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-indene-5-carbonylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-indene-5-carbonylamino)pyridine-3-carboxylic acid
PubChem CID63652531
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name2-(2,3-dihydro-1H-indene-5-carbonylamino)pyridine-3-carboxylic acid
SMILESO=C(Nc1ncccc1C(=O)O)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H14N2O3/c19-15(12-7-6-10-3-1-4-11(10)9-12)18-14-13(16(20)21)5-2-8-17-14/h2,5-9H,1,3-4H2,(H,20,21)(H,17,18,19)
InChIKeyCWQSAKQRSHNXIW-UHFFFAOYSA-N
XLogP2.52
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorobenzoyl)amino]pyridine-3-carboxylic acid
CID 63654258
2-(pyridine-4-carbonylamino)pyridine-3-carboxylic acid
CID 55246558
2-[(3-fluoro-4-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 63653746
2-[(4-bromo-3-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 63653566
2-[(3-bromo-4-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 107949182
4-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoic acid
CID 18876241
2-(pyridine-2-carbonylamino)pyridine-3-carboxylic acid
CID 63654263
2-(piperidine-1-carbonylamino)pyridine-3-carboxylic acid
CID 79155083
2-[[6-(dimethylamino)pyridine-3-carbonyl]amino]pyridine-3-carboxylic acid
CID 63651994
5-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)pyridine-2-carboxylic acid
CID 166178703
N-(2,3-dihydro-1H-inden-5-yl)-2-phenoxypyridine-3-carboxamide
CID 24514604
2-[(2-chloropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 114036719

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-indene-5-carbonylamino)pyridine-3-carboxylic acid?
The IUPAC name of 2-(2,3-dihydro-1H-indene-5-carbonylamino)pyridine-3-carboxylic acid (CID 63652531) is 2-(2,3-dihydro-1H-indene-5-carbonylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2,3-dihydro-1H-indene-5-carbonylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2,3-dihydro-1H-indene-5-carbonylamino)pyridine-3-carboxylic acid is O=C(Nc1ncccc1C(=O)O)c1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-indene-5-carbonylamino)pyridine-3-carboxylic acid?
The InChIKey is CWQSAKQRSHNXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c19-15(12-7-6-10-3-1-4-11(10)9-12)18-14-13(16(20)21)5-2-8-17-14/h2,5-9H,1,3-4H2,(H,20,21)(H,17,18,19).
What are the key properties of 2-(2,3-dihydro-1H-indene-5-carbonylamino)pyridine-3-carboxylic acid?
2-(2,3-dihydro-1H-indene-5-carbonylamino)pyridine-3-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-indene-5-carbonylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 63652531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).