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

C23H24ClN3O2 — CID 23040327

IUPAC2-butyl-N-(2-chlorophenyl)-6-methyl-4-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESCCCCc1c(C(=O)Nc2ccccc2Cl)c(=O)cc(C)n1Cc1cccnc1
InChIInChI=1S/C23H24ClN3O2/c1-3-4-11-20-22(23(29)26-19-10-6-5-9-18(19)24)21(28)13-16(2)27(20)15-17-8-7-12-25-14-17/h5-10,12-14H,3-4,11,15H2,1-2H3,(H,26,29)
InChIKeyWBBRCNJOHBBMCD-UHFFFAOYSA-N
MW409.92 g/mol
LogP4.85
Rot. Bonds7

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

2-butyl-N-(2-chlorophenyl)-6-methyl-4-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 23040327) has the molecular formula C23H24ClN3O2 and a molecular weight of 409.92 g/mol. Its IUPAC name is 2-butyl-N-(2-chlorophenyl)-6-methyl-4-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-butyl-N-(2-chlorophenyl)-6-methyl-4-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
PubChem CID23040327
Molecular FormulaC23H24ClN3O2
Molecular Weight409.92 g/mol
Exact Mass409.16
IUPAC Name2-butyl-N-(2-chlorophenyl)-6-methyl-4-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESCCCCc1c(C(=O)Nc2ccccc2Cl)c(=O)cc(C)n1Cc1cccnc1
InChIInChI=1S/C23H24ClN3O2/c1-3-4-11-20-22(23(29)26-19-10-6-5-9-18(19)24)21(28)13-16(2)27(20)15-17-8-7-12-25-14-17/h5-10,12-14H,3-4,11,15H2,1-2H3,(H,26,29)
InChIKeyWBBRCNJOHBBMCD-UHFFFAOYSA-N
XLogP4.85
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-(2-chlorophenyl)-6-methyl-4-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 2-butyl-N-(2-chlorophenyl)-6-methyl-4-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide (CID 23040327) is 2-butyl-N-(2-chlorophenyl)-6-methyl-4-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-butyl-N-(2-chlorophenyl)-6-methyl-4-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-butyl-N-(2-chlorophenyl)-6-methyl-4-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide is CCCCc1c(C(=O)Nc2ccccc2Cl)c(=O)cc(C)n1Cc1cccnc1.
What is the InChIKey of 2-butyl-N-(2-chlorophenyl)-6-methyl-4-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is WBBRCNJOHBBMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O2/c1-3-4-11-20-22(23(29)26-19-10-6-5-9-18(19)24)21(28)13-16(2)27(20)15-17-8-7-12-25-14-17/h5-10,12-14H,3-4,11,15H2,1-2H3,(H,26,29).
What are the key properties of 2-butyl-N-(2-chlorophenyl)-6-methyl-4-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
2-butyl-N-(2-chlorophenyl)-6-methyl-4-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 409.92 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-(2-chlorophenyl)-6-methyl-4-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 23040327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).