2-ethyl-4-(pyridine-2-carbonylamino)benzoic acid

C15H14N2O3 — CID 54055082

IUPAC2-ethyl-4-(pyridine-2-carbonylamino)benzoic acid
SMILESCCc1cc(NC(=O)c2ccccn2)ccc1C(=O)O
InChIInChI=1S/C15H14N2O3/c1-2-10-9-11(6-7-12(10)15(19)20)17-14(18)13-5-3-4-8-16-13/h3-9H,2H2,1H3,(H,17,18)(H,19,20)
InChIKeyLVRBELGVPYLXGW-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.59
Rot. Bonds4

About 2-ethyl-4-(pyridine-2-carbonylamino)benzoic acid

2-ethyl-4-(pyridine-2-carbonylamino)benzoic acid (PubChem CID 54055082) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-ethyl-4-(pyridine-2-carbonylamino)benzoic acid.

Molecular Properties

Compound Name2-ethyl-4-(pyridine-2-carbonylamino)benzoic acid
PubChem CID54055082
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name2-ethyl-4-(pyridine-2-carbonylamino)benzoic acid
SMILESCCc1cc(NC(=O)c2ccccn2)ccc1C(=O)O
InChIInChI=1S/C15H14N2O3/c1-2-10-9-11(6-7-12(10)15(19)20)17-14(18)13-5-3-4-8-16-13/h3-9H,2H2,1H3,(H,17,18)(H,19,20)
InChIKeyLVRBELGVPYLXGW-UHFFFAOYSA-N
XLogP2.59
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-4-(pyridine-4-carbonylamino)benzoic acid
CID 19699090
N-(3,4-diethoxyphenyl)pyridine-2-carboxamide
CID 17411866
4-(pyridine-2-carbonylamino)benzoic acid
CID 16770258
N-[3-(aminomethyl)-4-fluorophenyl]pyridine-2-carboxamide
CID 62317302
N-(2,6-diethylphenyl)pyridine-2-carboxamide
CID 19224278
N-(3-amino-4-methylphenyl)pyridine-2-carboxamide
CID 24707912
N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 2571943
N-[4-(ethylaminomethyl)phenyl]pyridine-2-carboxamide
CID 106910172
2-(pyridine-2-carbonylamino)pyridine-3-carboxylic acid
CID 63654263
N-(4-hexoxyphenyl)pyridine-2-carboxamide
CID 17353110
N-(4-benzoylphenyl)pyridine-2-carboxamide
CID 157248993
5-methyl-2-(pyridine-2-carbonylamino)thiophene-3-carboxylic acid
CID 63614852

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(pyridine-2-carbonylamino)benzoic acid?
The IUPAC name of 2-ethyl-4-(pyridine-2-carbonylamino)benzoic acid (CID 54055082) is 2-ethyl-4-(pyridine-2-carbonylamino)benzoic acid.
What is the SMILES notation for 2-ethyl-4-(pyridine-2-carbonylamino)benzoic acid?
The canonical SMILES for 2-ethyl-4-(pyridine-2-carbonylamino)benzoic acid is CCc1cc(NC(=O)c2ccccn2)ccc1C(=O)O.
What is the InChIKey of 2-ethyl-4-(pyridine-2-carbonylamino)benzoic acid?
The InChIKey is LVRBELGVPYLXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-2-10-9-11(6-7-12(10)15(19)20)17-14(18)13-5-3-4-8-16-13/h3-9H,2H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-ethyl-4-(pyridine-2-carbonylamino)benzoic acid?
2-ethyl-4-(pyridine-2-carbonylamino)benzoic acid has a molecular weight of 270.29 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(pyridine-2-carbonylamino)benzoic acid is sourced from PubChem (CID 54055082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).