N-(2-chlorophenyl)-6-methyl-2-(2-methylphenyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide

C26H22ClN3O2 — CID 23040445

IUPACN-(2-chlorophenyl)-6-methyl-2-(2-methylphenyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide
SMILESCc1ccccc1-c1c(C(=O)Nc2ccccc2Cl)c(=O)cc(C)n1Cc1ccccn1
InChIInChI=1S/C26H22ClN3O2/c1-17-9-3-4-11-20(17)25-24(26(32)29-22-13-6-5-12-21(22)27)23(31)15-18(2)30(25)16-19-10-7-8-14-28-19/h3-15H,16H2,1-2H3,(H,29,32)
InChIKeyQWICTTORNLFQHG-UHFFFAOYSA-N
MW443.93 g/mol
LogP5.48
Rot. Bonds5

About N-(2-chlorophenyl)-6-methyl-2-(2-methylphenyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide

N-(2-chlorophenyl)-6-methyl-2-(2-methylphenyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 23040445) has the molecular formula C26H22ClN3O2 and a molecular weight of 443.93 g/mol. Its IUPAC name is N-(2-chlorophenyl)-6-methyl-2-(2-methylphenyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-6-methyl-2-(2-methylphenyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide
PubChem CID23040445
Molecular FormulaC26H22ClN3O2
Molecular Weight443.93 g/mol
Exact Mass443.14
IUPAC NameN-(2-chlorophenyl)-6-methyl-2-(2-methylphenyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide
SMILESCc1ccccc1-c1c(C(=O)Nc2ccccc2Cl)c(=O)cc(C)n1Cc1ccccn1
InChIInChI=1S/C26H22ClN3O2/c1-17-9-3-4-11-20(17)25-24(26(32)29-22-13-6-5-12-21(22)27)23(31)15-18(2)30(25)16-19-10-7-8-14-28-19/h3-15H,16H2,1-2H3,(H,29,32)
InChIKeyQWICTTORNLFQHG-UHFFFAOYSA-N
XLogP5.48
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.93
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-6-methyl-2-(2-methylphenyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-6-methyl-2-(2-methylphenyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide (CID 23040445) is N-(2-chlorophenyl)-6-methyl-2-(2-methylphenyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-6-methyl-2-(2-methylphenyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-6-methyl-2-(2-methylphenyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide is Cc1ccccc1-c1c(C(=O)Nc2ccccc2Cl)c(=O)cc(C)n1Cc1ccccn1.
What is the InChIKey of N-(2-chlorophenyl)-6-methyl-2-(2-methylphenyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is QWICTTORNLFQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN3O2/c1-17-9-3-4-11-20(17)25-24(26(32)29-22-13-6-5-12-21(22)27)23(31)15-18(2)30(25)16-19-10-7-8-14-28-19/h3-15H,16H2,1-2H3,(H,29,32).
What are the key properties of N-(2-chlorophenyl)-6-methyl-2-(2-methylphenyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
N-(2-chlorophenyl)-6-methyl-2-(2-methylphenyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 443.93 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-6-methyl-2-(2-methylphenyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 23040445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).