N-(2-chlorophenyl)-1-hexyl-6-methyl-2-(2-methylphenyl)-4-oxopyridine-3-carboxamide

C26H29ClN2O2 — CID 23040741

IUPACN-(2-chlorophenyl)-1-hexyl-6-methyl-2-(2-methylphenyl)-4-oxopyridine-3-carboxamide
SMILESCCCCCCn1c(C)cc(=O)c(C(=O)Nc2ccccc2Cl)c1-c1ccccc1C
InChIInChI=1S/C26H29ClN2O2/c1-4-5-6-11-16-29-19(3)17-23(30)24(25(29)20-13-8-7-12-18(20)2)26(31)28-22-15-10-9-14-21(22)27/h7-10,12-15,17H,4-6,11,16H2,1-3H3,(H,28,31)
InChIKeyZTIJONWAYLGIGR-UHFFFAOYSA-N
MW436.98 g/mol
LogP6.62
Rot. Bonds8

About N-(2-chlorophenyl)-1-hexyl-6-methyl-2-(2-methylphenyl)-4-oxopyridine-3-carboxamide

N-(2-chlorophenyl)-1-hexyl-6-methyl-2-(2-methylphenyl)-4-oxopyridine-3-carboxamide (PubChem CID 23040741) has the molecular formula C26H29ClN2O2 and a molecular weight of 436.98 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1-hexyl-6-methyl-2-(2-methylphenyl)-4-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1-hexyl-6-methyl-2-(2-methylphenyl)-4-oxopyridine-3-carboxamide
PubChem CID23040741
Molecular FormulaC26H29ClN2O2
Molecular Weight436.98 g/mol
Exact Mass436.19
IUPAC NameN-(2-chlorophenyl)-1-hexyl-6-methyl-2-(2-methylphenyl)-4-oxopyridine-3-carboxamide
SMILESCCCCCCn1c(C)cc(=O)c(C(=O)Nc2ccccc2Cl)c1-c1ccccc1C
InChIInChI=1S/C26H29ClN2O2/c1-4-5-6-11-16-29-19(3)17-23(30)24(25(29)20-13-8-7-12-18(20)2)26(31)28-22-15-10-9-14-21(22)27/h7-10,12-15,17H,4-6,11,16H2,1-3H3,(H,28,31)
InChIKeyZTIJONWAYLGIGR-UHFFFAOYSA-N
XLogP6.62
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.98
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-(2-chlorophenyl)-1-hexyl-6-methyl-2-(2-methylphenyl)-4-oxopyridine-3-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-1-hexyl-6-methyl-2-(2-methylphenyl)-4-oxopyridine-3-carboxamide (CID 23040741) is N-(2-chlorophenyl)-1-hexyl-6-methyl-2-(2-methylphenyl)-4-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-1-hexyl-6-methyl-2-(2-methylphenyl)-4-oxopyridine-3-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-1-hexyl-6-methyl-2-(2-methylphenyl)-4-oxopyridine-3-carboxamide is CCCCCCn1c(C)cc(=O)c(C(=O)Nc2ccccc2Cl)c1-c1ccccc1C.
What is the InChIKey of N-(2-chlorophenyl)-1-hexyl-6-methyl-2-(2-methylphenyl)-4-oxopyridine-3-carboxamide?
The InChIKey is ZTIJONWAYLGIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN2O2/c1-4-5-6-11-16-29-19(3)17-23(30)24(25(29)20-13-8-7-12-18(20)2)26(31)28-22-15-10-9-14-21(22)27/h7-10,12-15,17H,4-6,11,16H2,1-3H3,(H,28,31).
What are the key properties of N-(2-chlorophenyl)-1-hexyl-6-methyl-2-(2-methylphenyl)-4-oxopyridine-3-carboxamide?
N-(2-chlorophenyl)-1-hexyl-6-methyl-2-(2-methylphenyl)-4-oxopyridine-3-carboxamide has a molecular weight of 436.98 g/mol, XLogP of 6.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-1-hexyl-6-methyl-2-(2-methylphenyl)-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 23040741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).