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

C15H14N2O3 — CID 19699090

IUPAC2-ethyl-4-(pyridine-4-carbonylamino)benzoic acid
SMILESCCc1cc(NC(=O)c2ccncc2)ccc1C(=O)O
InChIInChI=1S/C15H14N2O3/c1-2-10-9-12(3-4-13(10)15(19)20)17-14(18)11-5-7-16-8-6-11/h3-9H,2H2,1H3,(H,17,18)(H,19,20)
InChIKeyQMSAZAWSKREQME-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.59
Rot. Bonds4

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

2-ethyl-4-(pyridine-4-carbonylamino)benzoic acid (PubChem CID 19699090) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-ethyl-4-(pyridine-4-carbonylamino)benzoic acid.

Molecular Properties

Compound Name2-ethyl-4-(pyridine-4-carbonylamino)benzoic acid
PubChem CID19699090
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name2-ethyl-4-(pyridine-4-carbonylamino)benzoic acid
SMILESCCc1cc(NC(=O)c2ccncc2)ccc1C(=O)O
InChIInChI=1S/C15H14N2O3/c1-2-10-9-12(3-4-13(10)15(19)20)17-14(18)11-5-7-16-8-6-11/h3-9H,2H2,1H3,(H,17,18)(H,19,20)
InChIKeyQMSAZAWSKREQME-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-2-carbonylamino)benzoic acid
CID 54055082
2,3-dimethyl-5-(pyridine-4-carbonylamino)benzoic acid
CID 63021015
N-(4-methylphenyl)pyridine-4-carboxamide;propane
CID 142028273
N-[4-ethoxy-3-(hydroxymethyl)phenyl]pyridine-4-carboxamide
CID 61015216
5-methyl-2-(pyridine-4-carbonylamino)benzoic acid
CID 24701556
methanol;N-pyridin-4-ylpyridine-4-carboxamide
CID 158472241
4-ethyl-N-pyridin-4-ylbenzamide
CID 2712552
N-(3-chloro-4-methylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110756427
N-[4-(ethylaminomethyl)phenyl]pyridine-4-carboxamide
CID 106910118
N-(3,4-dibromophenyl)pyridine-4-carboxamide
CID 4139948
4-(pyridine-4-carbonylamino)pyridine-2-carboxylic acid
CID 63651530
4-(ethoxyamino)-2-ethylbenzoic acid
CID 87455790

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(pyridine-4-carbonylamino)benzoic acid?
The IUPAC name of 2-ethyl-4-(pyridine-4-carbonylamino)benzoic acid (CID 19699090) is 2-ethyl-4-(pyridine-4-carbonylamino)benzoic acid.
What is the SMILES notation for 2-ethyl-4-(pyridine-4-carbonylamino)benzoic acid?
The canonical SMILES for 2-ethyl-4-(pyridine-4-carbonylamino)benzoic acid is CCc1cc(NC(=O)c2ccncc2)ccc1C(=O)O.
What is the InChIKey of 2-ethyl-4-(pyridine-4-carbonylamino)benzoic acid?
The InChIKey is QMSAZAWSKREQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-2-10-9-12(3-4-13(10)15(19)20)17-14(18)11-5-7-16-8-6-11/h3-9H,2H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-ethyl-4-(pyridine-4-carbonylamino)benzoic acid?
2-ethyl-4-(pyridine-4-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-4-carbonylamino)benzoic acid is sourced from PubChem (CID 19699090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).