6-[(4-ethylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid

C16H16N2O3 — CID 62004228

IUPAC6-[(4-ethylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid
SMILESCCc1ccc(N(C)C(=O)c2ccc(C(=O)O)cn2)cc1
InChIInChI=1S/C16H16N2O3/c1-3-11-4-7-13(8-5-11)18(2)15(19)14-9-6-12(10-17-14)16(20)21/h4-10H,3H2,1-2H3,(H,20,21)
InChIKeyMDUYPQJWKFAPQX-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.62
Rot. Bonds4

About 6-[(4-ethylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid

6-[(4-ethylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid (PubChem CID 62004228) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 6-[(4-ethylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(4-ethylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid
PubChem CID62004228
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name6-[(4-ethylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid
SMILESCCc1ccc(N(C)C(=O)c2ccc(C(=O)O)cn2)cc1
InChIInChI=1S/C16H16N2O3/c1-3-11-4-7-13(8-5-11)18(2)15(19)14-9-6-12(10-17-14)16(20)21/h4-10H,3H2,1-2H3,(H,20,21)
InChIKeyMDUYPQJWKFAPQX-UHFFFAOYSA-N
XLogP2.62
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[(4-ethylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4-ethylphenyl)-methylcarbamoyl]benzoic acid
CID 62004416
5-(4-ethyl-N-methylanilino)pyridine-2-carboxylic acid
CID 113321588
6-(diethylcarbamoyl)pyridine-3-carboxylic acid
CID 43427227
6-(ethylamino)-N-(4-ethylphenyl)-N-methylpyridine-3-carboxamide
CID 62175324
5-(ethylamino)-N-(4-ethylphenyl)-N-methylpyrazine-2-carboxamide
CID 107375022
6-[benzyl(methyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427191
6-[tert-butyl(methyl)carbamoyl]pyridine-3-carboxylic acid
CID 115116607
6-chloro-N-(4-ethylphenyl)-N-methylpyrazine-2-carboxamide
CID 114035324
6-[methyl(pentyl)carbamoyl]pyridine-3-carboxylic acid
CID 43452990
N-(4-aminophenyl)-4-ethyl-N-methylbenzamide
CID 28894052
1-[5-(4-ethyl-N-methylanilino)-2-pyridinyl]propan-1-one
CID 115938975
5-(aminomethyl)-N-(4-fluorophenyl)-N-methylpyridine-2-carboxamide
CID 63723051

Frequently Asked Questions

What is the IUPAC name of 6-[(4-ethylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(4-ethylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid (CID 62004228) is 6-[(4-ethylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(4-ethylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(4-ethylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid is CCc1ccc(N(C)C(=O)c2ccc(C(=O)O)cn2)cc1.
What is the InChIKey of 6-[(4-ethylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid?
The InChIKey is MDUYPQJWKFAPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-3-11-4-7-13(8-5-11)18(2)15(19)14-9-6-12(10-17-14)16(20)21/h4-10H,3H2,1-2H3,(H,20,21).
What are the key properties of 6-[(4-ethylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid?
6-[(4-ethylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid has a molecular weight of 284.32 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-ethylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 62004228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).