6-[(2-cyano-3-methylphenyl)carbamoyl]pyridine-3-carboxylic acid

C15H11N3O3 — CID 107800327

IUPAC6-[(2-cyano-3-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
SMILESCc1cccc(NC(=O)c2ccc(C(=O)O)cn2)c1C#N
InChIInChI=1S/C15H11N3O3/c1-9-3-2-4-12(11(9)7-16)18-14(19)13-6-5-10(8-17-13)15(20)21/h2-6,8H,1H3,(H,18,19)(H,20,21)
InChIKeyXVXOIPFNEGTCOQ-UHFFFAOYSA-N
MW281.27 g/mol
LogP2.21
Rot. Bonds3

About 6-[(2-cyano-3-methylphenyl)carbamoyl]pyridine-3-carboxylic acid

6-[(2-cyano-3-methylphenyl)carbamoyl]pyridine-3-carboxylic acid (PubChem CID 107800327) has the molecular formula C15H11N3O3 and a molecular weight of 281.27 g/mol. Its IUPAC name is 6-[(2-cyano-3-methylphenyl)carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(2-cyano-3-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
PubChem CID107800327
Molecular FormulaC15H11N3O3
Molecular Weight281.27 g/mol
Exact Mass281.08
IUPAC Name6-[(2-cyano-3-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
SMILESCc1cccc(NC(=O)c2ccc(C(=O)O)cn2)c1C#N
InChIInChI=1S/C15H11N3O3/c1-9-3-2-4-12(11(9)7-16)18-14(19)13-6-5-10(8-17-13)15(20)21/h2-6,8H,1H3,(H,18,19)(H,20,21)
InChIKeyXVXOIPFNEGTCOQ-UHFFFAOYSA-N
XLogP2.21
TPSA103.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2-cyano-3-fluorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43580818
N-(2-cyano-3-methylphenyl)-5-hydrazinylpyrazine-2-carboxamide
CID 107801459
5-chloro-N-(2-cyano-3-methylphenyl)-6-hydrazinylpyridine-3-carboxamide
CID 107801438
N-(2-cyano-3-methylphenyl)-4-iodobenzamide
CID 113241623
4-chloro-N-(2-cyano-3-methylphenyl)pyridine-3-carboxamide
CID 114003049
N-(2-cyano-3-methylphenyl)-1-methylpyrazole-4-carboxamide
CID 114003192
N-(2-cyano-3-methylphenyl)-5-hydroxypyridine-3-carboxamide
CID 107799217
2-(2-cyano-3-methylanilino)-2-oxoacetic acid
CID 12715815
4-amino-3-chloro-N-(2-cyano-3-methylphenyl)benzamide
CID 107802373
6-[(4-chloro-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427229
N-(2-cyano-3-methylphenyl)-3-hydroxybenzamide
CID 107799227
5-chloro-N-(2-cyano-3-methylphenyl)-2-(methylamino)pyridine-4-carboxamide
CID 107801317

Frequently Asked Questions

What is the IUPAC name of 6-[(2-cyano-3-methylphenyl)carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(2-cyano-3-methylphenyl)carbamoyl]pyridine-3-carboxylic acid (CID 107800327) is 6-[(2-cyano-3-methylphenyl)carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(2-cyano-3-methylphenyl)carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(2-cyano-3-methylphenyl)carbamoyl]pyridine-3-carboxylic acid is Cc1cccc(NC(=O)c2ccc(C(=O)O)cn2)c1C#N.
What is the InChIKey of 6-[(2-cyano-3-methylphenyl)carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is XVXOIPFNEGTCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3/c1-9-3-2-4-12(11(9)7-16)18-14(19)13-6-5-10(8-17-13)15(20)21/h2-6,8H,1H3,(H,18,19)(H,20,21).
What are the key properties of 6-[(2-cyano-3-methylphenyl)carbamoyl]pyridine-3-carboxylic acid?
6-[(2-cyano-3-methylphenyl)carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 281.27 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-cyano-3-methylphenyl)carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 107800327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).