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

C24H27N3O2 — CID 23040237

IUPAC6-methyl-N-(2-methylphenyl)-4-oxo-1-pentyl-2-pyridin-2-ylpyridine-3-carboxamide
SMILESCCCCCn1c(C)cc(=O)c(C(=O)Nc2ccccc2C)c1-c1ccccn1
InChIInChI=1S/C24H27N3O2/c1-4-5-10-15-27-18(3)16-21(28)22(23(27)20-13-8-9-14-25-20)24(29)26-19-12-7-6-11-17(19)2/h6-9,11-14,16H,4-5,10,15H2,1-3H3,(H,26,29)
InChIKeySJDKJQURKPSLLJ-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.97
Rot. Bonds7

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

6-methyl-N-(2-methylphenyl)-4-oxo-1-pentyl-2-pyridin-2-ylpyridine-3-carboxamide (PubChem CID 23040237) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 6-methyl-N-(2-methylphenyl)-4-oxo-1-pentyl-2-pyridin-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(2-methylphenyl)-4-oxo-1-pentyl-2-pyridin-2-ylpyridine-3-carboxamide
PubChem CID23040237
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name6-methyl-N-(2-methylphenyl)-4-oxo-1-pentyl-2-pyridin-2-ylpyridine-3-carboxamide
SMILESCCCCCn1c(C)cc(=O)c(C(=O)Nc2ccccc2C)c1-c1ccccn1
InChIInChI=1S/C24H27N3O2/c1-4-5-10-15-27-18(3)16-21(28)22(23(27)20-13-8-9-14-25-20)24(29)26-19-12-7-6-11-17(19)2/h6-9,11-14,16H,4-5,10,15H2,1-3H3,(H,26,29)
InChIKeySJDKJQURKPSLLJ-UHFFFAOYSA-N
XLogP4.97
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.97
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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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2-methylphenyl)-4-oxo-1-pentyl-2-pyridin-2-ylpyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-(2-methylphenyl)-4-oxo-1-pentyl-2-pyridin-2-ylpyridine-3-carboxamide (CID 23040237) is 6-methyl-N-(2-methylphenyl)-4-oxo-1-pentyl-2-pyridin-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-(2-methylphenyl)-4-oxo-1-pentyl-2-pyridin-2-ylpyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-(2-methylphenyl)-4-oxo-1-pentyl-2-pyridin-2-ylpyridine-3-carboxamide is CCCCCn1c(C)cc(=O)c(C(=O)Nc2ccccc2C)c1-c1ccccn1.
What is the InChIKey of 6-methyl-N-(2-methylphenyl)-4-oxo-1-pentyl-2-pyridin-2-ylpyridine-3-carboxamide?
The InChIKey is SJDKJQURKPSLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-4-5-10-15-27-18(3)16-21(28)22(23(27)20-13-8-9-14-25-20)24(29)26-19-12-7-6-11-17(19)2/h6-9,11-14,16H,4-5,10,15H2,1-3H3,(H,26,29).
What are the key properties of 6-methyl-N-(2-methylphenyl)-4-oxo-1-pentyl-2-pyridin-2-ylpyridine-3-carboxamide?
6-methyl-N-(2-methylphenyl)-4-oxo-1-pentyl-2-pyridin-2-ylpyridine-3-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 4.97, 7 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-1-pentyl-2-pyridin-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 23040237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).