5-[[(3-chloro-2-methylbenzoyl)amino]methyl]pyridine-2-carboxylic acid

C15H13ClN2O3 — CID 107096018

IUPAC5-[[(3-chloro-2-methylbenzoyl)amino]methyl]pyridine-2-carboxylic acid
SMILESCc1c(Cl)cccc1C(=O)NCc1ccc(C(=O)O)nc1
InChIInChI=1S/C15H13ClN2O3/c1-9-11(3-2-4-12(9)16)14(19)18-8-10-5-6-13(15(20)21)17-7-10/h2-7H,8H2,1H3,(H,18,19)(H,20,21)
InChIKeyMNJSMXNHZUAOAH-UHFFFAOYSA-N
MW304.73 g/mol
LogP2.67
Rot. Bonds4

About 5-[[(3-chloro-2-methylbenzoyl)amino]methyl]pyridine-2-carboxylic acid

5-[[(3-chloro-2-methylbenzoyl)amino]methyl]pyridine-2-carboxylic acid (PubChem CID 107096018) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is 5-[[(3-chloro-2-methylbenzoyl)amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(3-chloro-2-methylbenzoyl)amino]methyl]pyridine-2-carboxylic acid
PubChem CID107096018
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name5-[[(3-chloro-2-methylbenzoyl)amino]methyl]pyridine-2-carboxylic acid
SMILESCc1c(Cl)cccc1C(=O)NCc1ccc(C(=O)O)nc1
InChIInChI=1S/C15H13ClN2O3/c1-9-11(3-2-4-12(9)16)14(19)18-8-10-5-6-13(15(20)21)17-7-10/h2-7H,8H2,1H3,(H,18,19)(H,20,21)
InChIKeyMNJSMXNHZUAOAH-UHFFFAOYSA-N
XLogP2.67
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(3-chloro-2-fluorobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 81266256
5-[[(2-chloro-6-fluorobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 81091399
5-[[(5-chloro-2-methylbenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 82871594
5-[(3-chloro-2-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 107096027
5-[[(6-methylpyridine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099042
N-[(4-bromophenyl)methyl]-3-chloro-2-methylbenzamide
CID 107096897
N-[(4-aminophenyl)methyl]-3-chloro-2-methylbenzamide
CID 110484084
N-[[4-(bromomethyl)phenyl]methyl]-3-chloro-2-methylbenzamide
CID 107233695
5-[[(5-bromo-2-chlorobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 81092297
5-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81098454
5-[[(5-methylpyrazine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81100153
3-chloro-N-[(4-cyanophenyl)methyl]-2-methylbenzamide
CID 107096765

Frequently Asked Questions

What is the IUPAC name of 5-[[(3-chloro-2-methylbenzoyl)amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[(3-chloro-2-methylbenzoyl)amino]methyl]pyridine-2-carboxylic acid (CID 107096018) is 5-[[(3-chloro-2-methylbenzoyl)amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[(3-chloro-2-methylbenzoyl)amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[(3-chloro-2-methylbenzoyl)amino]methyl]pyridine-2-carboxylic acid is Cc1c(Cl)cccc1C(=O)NCc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[[(3-chloro-2-methylbenzoyl)amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is MNJSMXNHZUAOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c1-9-11(3-2-4-12(9)16)14(19)18-8-10-5-6-13(15(20)21)17-7-10/h2-7H,8H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 5-[[(3-chloro-2-methylbenzoyl)amino]methyl]pyridine-2-carboxylic acid?
5-[[(3-chloro-2-methylbenzoyl)amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 304.73 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-chloro-2-methylbenzoyl)amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 107096018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).