5-chloro-N-[(4-methylphenyl)-pyridin-4-ylmethyl]-6-oxo-1H-pyridine-3-carboxamide

C19H16ClN3O2 — CID 56712996

IUPAC5-chloro-N-[(4-methylphenyl)-pyridin-4-ylmethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(NC(=O)c2c[nH]c(=O)c(Cl)c2)c2ccncc2)cc1
InChIInChI=1S/C19H16ClN3O2/c1-12-2-4-13(5-3-12)17(14-6-8-21-9-7-14)23-18(24)15-10-16(20)19(25)22-11-15/h2-11,17H,1H3,(H,22,25)(H,23,24)
InChIKeyNLSVLJGETJAICB-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.25
Rot. Bonds4

About 5-chloro-N-[(4-methylphenyl)-pyridin-4-ylmethyl]-6-oxo-1H-pyridine-3-carboxamide

5-chloro-N-[(4-methylphenyl)-pyridin-4-ylmethyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 56712996) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 5-chloro-N-[(4-methylphenyl)-pyridin-4-ylmethyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(4-methylphenyl)-pyridin-4-ylmethyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID56712996
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name5-chloro-N-[(4-methylphenyl)-pyridin-4-ylmethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(NC(=O)c2c[nH]c(=O)c(Cl)c2)c2ccncc2)cc1
InChIInChI=1S/C19H16ClN3O2/c1-12-2-4-13(5-3-12)17(14-6-8-21-9-7-14)23-18(24)15-10-16(20)19(25)22-11-15/h2-11,17H,1H3,(H,22,25)(H,23,24)
InChIKeyNLSVLJGETJAICB-UHFFFAOYSA-N
XLogP3.25
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-chloro-N-[(4-methylphenyl)-pyridin-4-ylmethyl]-6-oxo-1H-pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4-methylphenyl)-pyridin-4-ylmethyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[(4-methylphenyl)-pyridin-4-ylmethyl]-6-oxo-1H-pyridine-3-carboxamide (CID 56712996) is 5-chloro-N-[(4-methylphenyl)-pyridin-4-ylmethyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[(4-methylphenyl)-pyridin-4-ylmethyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[(4-methylphenyl)-pyridin-4-ylmethyl]-6-oxo-1H-pyridine-3-carboxamide is Cc1ccc(C(NC(=O)c2c[nH]c(=O)c(Cl)c2)c2ccncc2)cc1.
What is the InChIKey of 5-chloro-N-[(4-methylphenyl)-pyridin-4-ylmethyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is NLSVLJGETJAICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c1-12-2-4-13(5-3-12)17(14-6-8-21-9-7-14)23-18(24)15-10-16(20)19(25)22-11-15/h2-11,17H,1H3,(H,22,25)(H,23,24).
What are the key properties of 5-chloro-N-[(4-methylphenyl)-pyridin-4-ylmethyl]-6-oxo-1H-pyridine-3-carboxamide?
5-chloro-N-[(4-methylphenyl)-pyridin-4-ylmethyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 353.81 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4-methylphenyl)-pyridin-4-ylmethyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 56712996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).