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

C25H29N3O2 — CID 23040324

IUPAC6-methyl-N-(2-methylphenyl)-4-oxo-2-pentyl-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESCCCCCc1c(C(=O)Nc2ccccc2C)c(=O)cc(C)n1Cc1cccnc1
InChIInChI=1S/C25H29N3O2/c1-4-5-6-13-22-24(25(30)27-21-12-8-7-10-18(21)2)23(29)15-19(3)28(22)17-20-11-9-14-26-16-20/h7-12,14-16H,4-6,13,17H2,1-3H3,(H,27,30)
InChIKeyLNJTYDOMJDNAIM-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.89
Rot. Bonds8

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

6-methyl-N-(2-methylphenyl)-4-oxo-2-pentyl-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 23040324) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 6-methyl-N-(2-methylphenyl)-4-oxo-2-pentyl-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(2-methylphenyl)-4-oxo-2-pentyl-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
PubChem CID23040324
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name6-methyl-N-(2-methylphenyl)-4-oxo-2-pentyl-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESCCCCCc1c(C(=O)Nc2ccccc2C)c(=O)cc(C)n1Cc1cccnc1
InChIInChI=1S/C25H29N3O2/c1-4-5-6-13-22-24(25(30)27-21-12-8-7-10-18(21)2)23(29)15-19(3)28(22)17-20-11-9-14-26-16-20/h7-12,14-16H,4-6,13,17H2,1-3H3,(H,27,30)
InChIKeyLNJTYDOMJDNAIM-UHFFFAOYSA-N
XLogP4.89
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-butyl-N-(2-chlorophenyl)-6-methyl-4-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 23040327
2-ethyl-6-methyl-4-oxo-N-phenyl-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 23040065
1-butyl-6-methyl-N-(2-methylphenyl)-4-oxo-2-pyridin-3-ylpyridine-3-carboxamide
CID 23040109
1-benzyl-N-(2-methylphenyl)-4-oxo-2,6-dipropylpyridine-3-carboxamide
CID 23037900
1-benzyl-6-methyl-N-(2-methylphenyl)-2-(2-methylpropyl)-4-oxopyridine-3-carboxamide
CID 23040088
1-[(4-chlorophenyl)methyl]-6-methyl-N-(2-methylphenyl)-4-oxo-2-pyridin-3-ylpyridine-3-carboxamide
CID 23040883
2-(2-chlorophenyl)-N-(2,3-dimethylphenyl)-6-methyl-4-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 23040706
6-methyl-N-(2-methylphenyl)-4-oxo-1-pentyl-2-pyridin-2-ylpyridine-3-carboxamide
CID 23040237
1-benzyl-6-methyl-N-(2-methylphenyl)-4-oxo-2-phenylpyridine-3-carboxamide
CID 14252502
6-methyl-N-(2-methylphenyl)-4-oxo-2-pyridin-3-yl-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 23040556
N-(2-chlorophenyl)-6-methyl-4-oxo-1-pentyl-2-propylpyridine-3-carboxamide
CID 23040962
1-benzyl-2-butyl-6-ethyl-4-oxo-N-phenylpyridine-3-carboxamide
CID 23040376

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2-methylphenyl)-4-oxo-2-pentyl-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-(2-methylphenyl)-4-oxo-2-pentyl-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide (CID 23040324) is 6-methyl-N-(2-methylphenyl)-4-oxo-2-pentyl-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-(2-methylphenyl)-4-oxo-2-pentyl-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-(2-methylphenyl)-4-oxo-2-pentyl-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide is CCCCCc1c(C(=O)Nc2ccccc2C)c(=O)cc(C)n1Cc1cccnc1.
What is the InChIKey of 6-methyl-N-(2-methylphenyl)-4-oxo-2-pentyl-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is LNJTYDOMJDNAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-4-5-6-13-22-24(25(30)27-21-12-8-7-10-18(21)2)23(29)15-19(3)28(22)17-20-11-9-14-26-16-20/h7-12,14-16H,4-6,13,17H2,1-3H3,(H,27,30).
What are the key properties of 6-methyl-N-(2-methylphenyl)-4-oxo-2-pentyl-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
6-methyl-N-(2-methylphenyl)-4-oxo-2-pentyl-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 403.53 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(2-methylphenyl)-4-oxo-2-pentyl-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 23040324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).