6-[[cyclopropyl-(4-methylphenyl)methyl]carbamoyl]pyridine-2-carboxylic acid

C18H18N2O3 — CID 119179983

IUPAC6-[[cyclopropyl-(4-methylphenyl)methyl]carbamoyl]pyridine-2-carboxylic acid
SMILESCc1ccc(C(NC(=O)c2cccc(C(=O)O)n2)C2CC2)cc1
InChIInChI=1S/C18H18N2O3/c1-11-5-7-12(8-6-11)16(13-9-10-13)20-17(21)14-3-2-4-15(19-14)18(22)23/h2-8,13,16H,9-10H2,1H3,(H,20,21)(H,22,23)
InChIKeyDXKGDMBDWFPJIM-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.97
Rot. Bonds5

About 6-[[cyclopropyl-(4-methylphenyl)methyl]carbamoyl]pyridine-2-carboxylic acid

6-[[cyclopropyl-(4-methylphenyl)methyl]carbamoyl]pyridine-2-carboxylic acid (PubChem CID 119179983) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 6-[[cyclopropyl-(4-methylphenyl)methyl]carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[cyclopropyl-(4-methylphenyl)methyl]carbamoyl]pyridine-2-carboxylic acid
PubChem CID119179983
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name6-[[cyclopropyl-(4-methylphenyl)methyl]carbamoyl]pyridine-2-carboxylic acid
SMILESCc1ccc(C(NC(=O)c2cccc(C(=O)O)n2)C2CC2)cc1
InChIInChI=1S/C18H18N2O3/c1-11-5-7-12(8-6-11)16(13-9-10-13)20-17(21)14-3-2-4-15(19-14)18(22)23/h2-8,13,16H,9-10H2,1H3,(H,20,21)(H,22,23)
InChIKeyDXKGDMBDWFPJIM-UHFFFAOYSA-N
XLogP2.97
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclopropyl-(4-methylphenyl)methyl]pyrazine-2-carboxamide
CID 47016466
5-chloro-N-[cyclopropyl-(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 86975241
N-[cyclopropyl-(4-methylphenyl)methyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55759168
N-[cyclopropyl-(4-methylphenyl)methyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 24625944
N-[cyclopropyl(phenyl)methyl]-5-methylpyrazine-2-carboxamide
CID 42929264
N-[cyclopropyl-(4-methylphenyl)methyl]thiophene-2-carboxamide
CID 51296320
N-[cyclopropyl-(4-methylphenyl)methyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 55668381
2-(azepan-1-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide
CID 46526961
N-[cyclopropyl-(4-methylphenyl)methyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 24582551
N-[(1R)-1-cyclopropylethyl]-6-methylpyridine-2-carboxamide
CID 33045236
N-[cyclopropyl(phenyl)methyl]-2-methylbenzamide
CID 51295877
N-[cyclopropyl-(4-methoxyphenyl)methyl]benzamide
CID 46566275

Frequently Asked Questions

What is the IUPAC name of 6-[[cyclopropyl-(4-methylphenyl)methyl]carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[cyclopropyl-(4-methylphenyl)methyl]carbamoyl]pyridine-2-carboxylic acid (CID 119179983) is 6-[[cyclopropyl-(4-methylphenyl)methyl]carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[cyclopropyl-(4-methylphenyl)methyl]carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[cyclopropyl-(4-methylphenyl)methyl]carbamoyl]pyridine-2-carboxylic acid is Cc1ccc(C(NC(=O)c2cccc(C(=O)O)n2)C2CC2)cc1.
What is the InChIKey of 6-[[cyclopropyl-(4-methylphenyl)methyl]carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is DXKGDMBDWFPJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-11-5-7-12(8-6-11)16(13-9-10-13)20-17(21)14-3-2-4-15(19-14)18(22)23/h2-8,13,16H,9-10H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 6-[[cyclopropyl-(4-methylphenyl)methyl]carbamoyl]pyridine-2-carboxylic acid?
6-[[cyclopropyl-(4-methylphenyl)methyl]carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 310.35 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[cyclopropyl-(4-methylphenyl)methyl]carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119179983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).