4-[ethyl(phenyl)carbamoyl]pyridine-2-carboxylic acid

C15H14N2O3 — CID 115730043

IUPAC4-[ethyl(phenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCCN(C(=O)c1ccnc(C(=O)O)c1)c1ccccc1
InChIInChI=1S/C15H14N2O3/c1-2-17(12-6-4-3-5-7-12)14(18)11-8-9-16-13(10-11)15(19)20/h3-10H,2H2,1H3,(H,19,20)
InChIKeyDZTMAAGDKMQTPK-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.45
Rot. Bonds4

About 4-[ethyl(phenyl)carbamoyl]pyridine-2-carboxylic acid

4-[ethyl(phenyl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 115730043) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 4-[ethyl(phenyl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl(phenyl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID115730043
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name4-[ethyl(phenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCCN(C(=O)c1ccnc(C(=O)O)c1)c1ccccc1
InChIInChI=1S/C15H14N2O3/c1-2-17(12-6-4-3-5-7-12)14(18)11-8-9-16-13(10-11)15(19)20/h3-10H,2H2,1H3,(H,19,20)
InChIKeyDZTMAAGDKMQTPK-UHFFFAOYSA-N
XLogP2.45
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-butan-2-yl-4-N-ethyl-4-N-phenylpyridine-2,4-dicarboxamide
CID 109080221
2-N-tert-butyl-4-N-ethyl-4-N-phenylpyridine-2,4-dicarboxamide
CID 109089266
N-ethyl-2-(4-formylpiperazine-1-carbonyl)-N-phenylpyridine-4-carboxamide
CID 109084799
4-[cyclobutylmethyl(phenyl)carbamoyl]pyridine-2-carboxylic acid
CID 119186878
2-N-(2-ethoxyphenyl)-4-N-ethyl-4-N-phenylpyridine-2,4-dicarboxamide
CID 109092343
4-N-ethyl-2-N-[2-(2-fluorophenyl)ethyl]-4-N-phenylpyridine-2,4-dicarboxamide
CID 109088003
2-N-(3-chloro-2-methylphenyl)-4-N-ethyl-4-N-phenylpyridine-2,4-dicarboxamide
CID 109092335
4-N-[2-(dimethylamino)ethyl]-2-N-ethyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109083472
4-N-(3,4-dimethylphenyl)-2-N-ethyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109091876
N-ethyl-2-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-phenylpyridine-4-carboxamide
CID 109092353
4-anilino-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109218846
4-N-(3-chloro-4-methylphenyl)-2-N-ethyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109092374

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(phenyl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[ethyl(phenyl)carbamoyl]pyridine-2-carboxylic acid (CID 115730043) is 4-[ethyl(phenyl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[ethyl(phenyl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[ethyl(phenyl)carbamoyl]pyridine-2-carboxylic acid is CCN(C(=O)c1ccnc(C(=O)O)c1)c1ccccc1.
What is the InChIKey of 4-[ethyl(phenyl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is DZTMAAGDKMQTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-2-17(12-6-4-3-5-7-12)14(18)11-8-9-16-13(10-11)15(19)20/h3-10H,2H2,1H3,(H,19,20).
What are the key properties of 4-[ethyl(phenyl)carbamoyl]pyridine-2-carboxylic acid?
4-[ethyl(phenyl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 270.29 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(phenyl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 115730043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).