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

C29H29N3O2 — CID 23040502

IUPACN-(2,6-diethylphenyl)-6-methyl-1-(2-methylphenyl)-4-oxo-2-pyridin-3-ylpyridine-3-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1c(-c2cccnc2)n(-c2ccccc2C)c(C)cc1=O
InChIInChI=1S/C29H29N3O2/c1-5-21-12-9-13-22(6-2)27(21)31-29(34)26-25(33)17-20(4)32(24-15-8-7-11-19(24)3)28(26)23-14-10-16-30-18-23/h7-18H,5-6H2,1-4H3,(H,31,34)
InChIKeyGHEOZFKOXOPUKX-UHFFFAOYSA-N
MW451.57 g/mol
LogP5.89
Rot. Bonds6

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

N-(2,6-diethylphenyl)-6-methyl-1-(2-methylphenyl)-4-oxo-2-pyridin-3-ylpyridine-3-carboxamide (PubChem CID 23040502) has the molecular formula C29H29N3O2 and a molecular weight of 451.57 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-6-methyl-1-(2-methylphenyl)-4-oxo-2-pyridin-3-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-6-methyl-1-(2-methylphenyl)-4-oxo-2-pyridin-3-ylpyridine-3-carboxamide
PubChem CID23040502
Molecular FormulaC29H29N3O2
Molecular Weight451.57 g/mol
Exact Mass451.23
IUPAC NameN-(2,6-diethylphenyl)-6-methyl-1-(2-methylphenyl)-4-oxo-2-pyridin-3-ylpyridine-3-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1c(-c2cccnc2)n(-c2ccccc2C)c(C)cc1=O
InChIInChI=1S/C29H29N3O2/c1-5-21-12-9-13-22(6-2)27(21)31-29(34)26-25(33)17-20(4)32(24-15-8-7-11-19(24)3)28(26)23-14-10-16-30-18-23/h7-18H,5-6H2,1-4H3,(H,31,34)
InChIKeyGHEOZFKOXOPUKX-UHFFFAOYSA-N
XLogP5.89
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.57
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-6-methyl-1-(2-methylphenyl)-4-oxo-2-pyridin-3-ylpyridine-3-carboxamide?
The IUPAC name of N-(2,6-diethylphenyl)-6-methyl-1-(2-methylphenyl)-4-oxo-2-pyridin-3-ylpyridine-3-carboxamide (CID 23040502) is N-(2,6-diethylphenyl)-6-methyl-1-(2-methylphenyl)-4-oxo-2-pyridin-3-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-6-methyl-1-(2-methylphenyl)-4-oxo-2-pyridin-3-ylpyridine-3-carboxamide?
The canonical SMILES for N-(2,6-diethylphenyl)-6-methyl-1-(2-methylphenyl)-4-oxo-2-pyridin-3-ylpyridine-3-carboxamide is CCc1cccc(CC)c1NC(=O)c1c(-c2cccnc2)n(-c2ccccc2C)c(C)cc1=O.
What is the InChIKey of N-(2,6-diethylphenyl)-6-methyl-1-(2-methylphenyl)-4-oxo-2-pyridin-3-ylpyridine-3-carboxamide?
The InChIKey is GHEOZFKOXOPUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O2/c1-5-21-12-9-13-22(6-2)27(21)31-29(34)26-25(33)17-20(4)32(24-15-8-7-11-19(24)3)28(26)23-14-10-16-30-18-23/h7-18H,5-6H2,1-4H3,(H,31,34).
What are the key properties of N-(2,6-diethylphenyl)-6-methyl-1-(2-methylphenyl)-4-oxo-2-pyridin-3-ylpyridine-3-carboxamide?
N-(2,6-diethylphenyl)-6-methyl-1-(2-methylphenyl)-4-oxo-2-pyridin-3-ylpyridine-3-carboxamide has a molecular weight of 451.57 g/mol, XLogP of 5.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-6-methyl-1-(2-methylphenyl)-4-oxo-2-pyridin-3-ylpyridine-3-carboxamide is sourced from PubChem (CID 23040502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).