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

C23H24ClN3O2 — CID 23040152

IUPACN-(2-chlorophenyl)-6-methyl-2-(2-methylpropyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2ccccc2Cl)c(CC(C)C)n1Cc1ccccn1
InChIInChI=1S/C23H24ClN3O2/c1-15(2)12-20-22(23(29)26-19-10-5-4-9-18(19)24)21(28)13-16(3)27(20)14-17-8-6-7-11-25-17/h4-11,13,15H,12,14H2,1-3H3,(H,26,29)
InChIKeyUMWCKTHVLLWVOX-UHFFFAOYSA-N
MW409.92 g/mol
LogP4.70
Rot. Bonds6

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

N-(2-chlorophenyl)-6-methyl-2-(2-methylpropyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 23040152) has the molecular formula C23H24ClN3O2 and a molecular weight of 409.92 g/mol. Its IUPAC name is N-(2-chlorophenyl)-6-methyl-2-(2-methylpropyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-6-methyl-2-(2-methylpropyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide
PubChem CID23040152
Molecular FormulaC23H24ClN3O2
Molecular Weight409.92 g/mol
Exact Mass409.16
IUPAC NameN-(2-chlorophenyl)-6-methyl-2-(2-methylpropyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2ccccc2Cl)c(CC(C)C)n1Cc1ccccn1
InChIInChI=1S/C23H24ClN3O2/c1-15(2)12-20-22(23(29)26-19-10-5-4-9-18(19)24)21(28)13-16(3)27(20)14-17-8-6-7-11-25-17/h4-11,13,15H,12,14H2,1-3H3,(H,26,29)
InChIKeyUMWCKTHVLLWVOX-UHFFFAOYSA-N
XLogP4.70
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-1-(furan-2-ylmethyl)-6-methyl-2-(2-methylpropyl)-4-oxopyridine-3-carboxamide
CID 23040785
N-(2-chlorophenyl)-6-methyl-2-(2-methylphenyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 23040445
1-benzyl-6-methyl-N-(2-methylphenyl)-2-(2-methylpropyl)-4-oxopyridine-3-carboxamide
CID 23040088
6-methyl-4-oxo-2-(2-phenylethyl)-N-propan-2-yl-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 42472455
2-butyl-N-(2-chlorophenyl)-6-methyl-4-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 23040327
6-methyl-N-(2-methylphenyl)-4-oxo-2-pyridin-3-yl-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 23040556
N-(2-chlorophenyl)-2-ethyl-1-hexyl-6-methyl-4-oxopyridine-3-carboxamide
CID 23040770
N-(2-chlorophenyl)-6-methyl-4-oxo-1-pentyl-2-propylpyridine-3-carboxamide
CID 23040962
N-ethyl-6-methyl-4-oxo-2-(2-phenylethyl)-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 26337612
N-(2,3-dimethylphenyl)-1-(furan-2-ylmethyl)-6-methyl-2-(2-methylpropyl)-4-oxopyridine-3-carboxamide
CID 23040280
1-benzyl-N-(2-chlorophenyl)-6-methyl-2-(2-methylphenyl)-4-oxopyridine-3-carboxamide
CID 23040717
N-(2-chlorophenyl)-6-methyl-1-[(4-methylphenyl)methyl]-4-oxo-2-phenylpyridine-3-carboxamide
CID 139649230

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-6-methyl-2-(2-methylpropyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-6-methyl-2-(2-methylpropyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide (CID 23040152) is N-(2-chlorophenyl)-6-methyl-2-(2-methylpropyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-6-methyl-2-(2-methylpropyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-6-methyl-2-(2-methylpropyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide is Cc1cc(=O)c(C(=O)Nc2ccccc2Cl)c(CC(C)C)n1Cc1ccccn1.
What is the InChIKey of N-(2-chlorophenyl)-6-methyl-2-(2-methylpropyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is UMWCKTHVLLWVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O2/c1-15(2)12-20-22(23(29)26-19-10-5-4-9-18(19)24)21(28)13-16(3)27(20)14-17-8-6-7-11-25-17/h4-11,13,15H,12,14H2,1-3H3,(H,26,29).
What are the key properties of N-(2-chlorophenyl)-6-methyl-2-(2-methylpropyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
N-(2-chlorophenyl)-6-methyl-2-(2-methylpropyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 409.92 g/mol, XLogP of 4.70, 6 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-methylpropyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 23040152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).