4-[(4-chlorophenyl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid

C15H13ClN2O3 — CID 115730122

IUPAC4-[(4-chlorophenyl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid
SMILESCN(Cc1ccc(Cl)cc1)C(=O)c1ccnc(C(=O)O)c1
InChIInChI=1S/C15H13ClN2O3/c1-18(9-10-2-4-12(16)5-3-10)14(19)11-6-7-17-13(8-11)15(20)21/h2-8H,9H2,1H3,(H,20,21)
InChIKeyBXPIVVWUQWDCCJ-UHFFFAOYSA-N
MW304.73 g/mol
LogP2.71
Rot. Bonds4

About 4-[(4-chlorophenyl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid

4-[(4-chlorophenyl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid (PubChem CID 115730122) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid
PubChem CID115730122
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name4-[(4-chlorophenyl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid
SMILESCN(Cc1ccc(Cl)cc1)C(=O)c1ccnc(C(=O)O)c1
InChIInChI=1S/C15H13ClN2O3/c1-18(9-10-2-4-12(16)5-3-10)14(19)11-6-7-17-13(8-11)15(20)21/h2-8H,9H2,1H3,(H,20,21)
InChIKeyBXPIVVWUQWDCCJ-UHFFFAOYSA-N
XLogP2.71
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-benzyl-2-N-[(4-chlorophenyl)methyl]-4-N-methylpyridine-2,4-dicarboxamide
CID 109086171
2-N-benzyl-4-N-[(4-chlorophenyl)methyl]-2-N-methylpyridine-2,4-dicarboxamide
CID 109086251
4-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]pyridine-2-carboxylic acid
CID 115910403
4-[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid
CID 115730250
N-benzyl-N-methyl-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide
CID 109080522
N-[(4-chlorophenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 28632210
4-[2-methoxyethyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 112555193
4-N-benzyl-2-N-(3,5-dimethylphenyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109086206
4-N-benzyl-2-N-(2,6-dimethylphenyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109086207
N-benzyl-N-methyl-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
CID 109082965
4-N-benzyl-2-N-(2-ethylphenyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109086209
4-N-benzyl-2-N-[(4-fluorophenyl)methyl]-4-N-methylpyridine-2,4-dicarboxamide
CID 109086169

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[(4-chlorophenyl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid (CID 115730122) is 4-[(4-chlorophenyl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[(4-chlorophenyl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid is CN(Cc1ccc(Cl)cc1)C(=O)c1ccnc(C(=O)O)c1.
What is the InChIKey of 4-[(4-chlorophenyl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid?
The InChIKey is BXPIVVWUQWDCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c1-18(9-10-2-4-12(16)5-3-10)14(19)11-6-7-17-13(8-11)15(20)21/h2-8H,9H2,1H3,(H,20,21).
What are the key properties of 4-[(4-chlorophenyl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid?
4-[(4-chlorophenyl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid has a molecular weight of 304.73 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 115730122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).