6-[(2-ethylphenyl)methylcarbamoyl]pyridine-3-carboxylic acid

C16H16N2O3 — CID 64695374

IUPAC6-[(2-ethylphenyl)methylcarbamoyl]pyridine-3-carboxylic acid
SMILESCCc1ccccc1CNC(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C16H16N2O3/c1-2-11-5-3-4-6-12(11)9-18-15(19)14-8-7-13(10-17-14)16(20)21/h3-8,10H,2,9H2,1H3,(H,18,19)(H,20,21)
InChIKeyJRLQZWQROJUMSQ-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.27
Rot. Bonds5

About 6-[(2-ethylphenyl)methylcarbamoyl]pyridine-3-carboxylic acid

6-[(2-ethylphenyl)methylcarbamoyl]pyridine-3-carboxylic acid (PubChem CID 64695374) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 6-[(2-ethylphenyl)methylcarbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(2-ethylphenyl)methylcarbamoyl]pyridine-3-carboxylic acid
PubChem CID64695374
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name6-[(2-ethylphenyl)methylcarbamoyl]pyridine-3-carboxylic acid
SMILESCCc1ccccc1CNC(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C16H16N2O3/c1-2-11-5-3-4-6-12(11)9-18-15(19)14-8-7-13(10-17-14)16(20)21/h3-8,10H,2,9H2,1H3,(H,18,19)(H,20,21)
InChIKeyJRLQZWQROJUMSQ-UHFFFAOYSA-N
XLogP2.27
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-ethylphenyl)methyl]-5-fluoropyridine-2-carboxamide
CID 136529873
6-[(3-methyl-4-pyridinyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 114701610
5-(ethylamino)-N-[(2-ethylphenyl)methyl]pyrazine-2-carboxamide
CID 107375903
6-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 106704146
6-[[2-(methylamino)-2-oxoethyl]carbamoyl]pyridine-3-carboxylic acid
CID 43427330
6-[2-[ethyl(methyl)amino]ethylcarbamoyl]pyridine-3-carboxylic acid
CID 62634866
6-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 60754840
6-(2-methylbutan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 43427297
6-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyridine-3-carboxylic acid
CID 43429243
6-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylcarbamoyl)pyridine-3-carboxylic acid
CID 61067039
6-(3-methylsulfanylpropylcarbamoyl)pyridine-3-carboxylic acid
CID 63959923
5-(butan-2-ylamino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109181602

Frequently Asked Questions

What is the IUPAC name of 6-[(2-ethylphenyl)methylcarbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(2-ethylphenyl)methylcarbamoyl]pyridine-3-carboxylic acid (CID 64695374) is 6-[(2-ethylphenyl)methylcarbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(2-ethylphenyl)methylcarbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(2-ethylphenyl)methylcarbamoyl]pyridine-3-carboxylic acid is CCc1ccccc1CNC(=O)c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[(2-ethylphenyl)methylcarbamoyl]pyridine-3-carboxylic acid?
The InChIKey is JRLQZWQROJUMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-2-11-5-3-4-6-12(11)9-18-15(19)14-8-7-13(10-17-14)16(20)21/h3-8,10H,2,9H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 6-[(2-ethylphenyl)methylcarbamoyl]pyridine-3-carboxylic acid?
6-[(2-ethylphenyl)methylcarbamoyl]pyridine-3-carboxylic acid has a molecular weight of 284.32 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-ethylphenyl)methylcarbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 64695374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).