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

C18H18N2O3 — CID 119186878

IUPAC4-[cyclobutylmethyl(phenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(C(=O)N(CC2CCC2)c2ccccc2)ccn1
InChIInChI=1S/C18H18N2O3/c21-17(14-9-10-19-16(11-14)18(22)23)20(12-13-5-4-6-13)15-7-2-1-3-8-15/h1-3,7-11,13H,4-6,12H2,(H,22,23)
InChIKeyRNAYNXOBYZOXQG-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.23
Rot. Bonds5

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

4-[cyclobutylmethyl(phenyl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 119186878) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 4-[cyclobutylmethyl(phenyl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[cyclobutylmethyl(phenyl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID119186878
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name4-[cyclobutylmethyl(phenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(C(=O)N(CC2CCC2)c2ccccc2)ccn1
InChIInChI=1S/C18H18N2O3/c21-17(14-9-10-19-16(11-14)18(22)23)20(12-13-5-4-6-13)15-7-2-1-3-8-15/h1-3,7-11,13H,4-6,12H2,(H,22,23)
InChIKeyRNAYNXOBYZOXQG-UHFFFAOYSA-N
XLogP3.23
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[ethyl(phenyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730043
4-[cyclopropylmethyl-(3-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 167863859
4-[cyclohexyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 112700598
N-benzyl-N-phenyl-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081326
2-amino-N-(cyclobutylmethyl)-N-phenylacetamide;hydrochloride
CID 119337195
N-ethyl-2-(4-formylpiperazine-1-carbonyl)-N-phenylpyridine-4-carboxamide
CID 109084799
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
4-[butyl(cyclopropyl)carbamoyl]pyridine-2-carboxylic acid
CID 113263115
4-[3-(hydroxymethyl)piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 113384996
4-(3-ethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700662
pyridine;pyridine-2,4-dicarboxylic acid
CID 159305579

Frequently Asked Questions

What is the IUPAC name of 4-[cyclobutylmethyl(phenyl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[cyclobutylmethyl(phenyl)carbamoyl]pyridine-2-carboxylic acid (CID 119186878) is 4-[cyclobutylmethyl(phenyl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[cyclobutylmethyl(phenyl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[cyclobutylmethyl(phenyl)carbamoyl]pyridine-2-carboxylic acid is O=C(O)c1cc(C(=O)N(CC2CCC2)c2ccccc2)ccn1.
What is the InChIKey of 4-[cyclobutylmethyl(phenyl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is RNAYNXOBYZOXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c21-17(14-9-10-19-16(11-14)18(22)23)20(12-13-5-4-6-13)15-7-2-1-3-8-15/h1-3,7-11,13H,4-6,12H2,(H,22,23).
What are the key properties of 4-[cyclobutylmethyl(phenyl)carbamoyl]pyridine-2-carboxylic acid?
4-[cyclobutylmethyl(phenyl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 310.35 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclobutylmethyl(phenyl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119186878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).