6-[3-(cyclopropylcarbamoyl)phenyl]pyridine-3-carboxylic acid

C16H14N2O3 — CID 53224277

IUPAC6-[3-(cyclopropylcarbamoyl)phenyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2cccc(C(=O)NC3CC3)c2)nc1
InChIInChI=1S/C16H14N2O3/c19-15(18-13-5-6-13)11-3-1-2-10(8-11)14-7-4-12(9-17-14)16(20)21/h1-4,7-9,13H,5-6H2,(H,18,19)(H,20,21)
InChIKeyXREYVONWTFHALS-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.34
Rot. Bonds4

About 6-[3-(cyclopropylcarbamoyl)phenyl]pyridine-3-carboxylic acid

6-[3-(cyclopropylcarbamoyl)phenyl]pyridine-3-carboxylic acid (PubChem CID 53224277) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 6-[3-(cyclopropylcarbamoyl)phenyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[3-(cyclopropylcarbamoyl)phenyl]pyridine-3-carboxylic acid
PubChem CID53224277
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name6-[3-(cyclopropylcarbamoyl)phenyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2cccc(C(=O)NC3CC3)c2)nc1
InChIInChI=1S/C16H14N2O3/c19-15(18-13-5-6-13)11-3-1-2-10(8-11)14-7-4-12(9-17-14)16(20)21/h1-4,7-9,13H,5-6H2,(H,18,19)(H,20,21)
InChIKeyXREYVONWTFHALS-UHFFFAOYSA-N
XLogP2.34
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(dimethylcarbamoylamino)cyclohexyl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 59401474
6-(3-methoxycarbonylphenyl)pyridine-3-carboxylic acid
CID 53223675
4-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]butylcarbamic acid
CID 67267712
6-[3-(2-morpholin-4-ylethylcarbamoyl)phenyl]pyridine-3-carboxylic acid
CID 121495695
6-(3-chlorophenyl)pyridine-3-carboxylic acid
CID 24729969
methyl 6-[3-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]phenyl]pyridine-3-carboxylate
CID 119073100
6-(3-fluorophenyl)-N-[(1R,3S)-3-(4-hydroxypiperidine-1-carbonyl)cyclopentyl]pyridine-3-carboxamide
CID 91031311
2-[3-[4-(cyclopropylcarbamoyl)-2-pyridinyl]phenyl]acetic acid
CID 155910539
N-cyclopropyl-6-(1-phenylpyrazol-4-yl)pyridine-3-carboxamide
CID 4171890
6-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)-3-fluorophenyl]pyridine-3-carboxylic acid
CID 150226068
6-(3-acetamidophenyl)pyridine-3-carboxylic acid
CID 53223644
[(1R,3S)-3-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]cyclopentyl] formate
CID 87257900

Frequently Asked Questions

What is the IUPAC name of 6-[3-(cyclopropylcarbamoyl)phenyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[3-(cyclopropylcarbamoyl)phenyl]pyridine-3-carboxylic acid (CID 53224277) is 6-[3-(cyclopropylcarbamoyl)phenyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[3-(cyclopropylcarbamoyl)phenyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[3-(cyclopropylcarbamoyl)phenyl]pyridine-3-carboxylic acid is O=C(O)c1ccc(-c2cccc(C(=O)NC3CC3)c2)nc1.
What is the InChIKey of 6-[3-(cyclopropylcarbamoyl)phenyl]pyridine-3-carboxylic acid?
The InChIKey is XREYVONWTFHALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c19-15(18-13-5-6-13)11-3-1-2-10(8-11)14-7-4-12(9-17-14)16(20)21/h1-4,7-9,13H,5-6H2,(H,18,19)(H,20,21).
What are the key properties of 6-[3-(cyclopropylcarbamoyl)phenyl]pyridine-3-carboxylic acid?
6-[3-(cyclopropylcarbamoyl)phenyl]pyridine-3-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(cyclopropylcarbamoyl)phenyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 53224277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).