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

C21H27ClN2O2 — CID 23040770

IUPACN-(2-chlorophenyl)-2-ethyl-1-hexyl-6-methyl-4-oxopyridine-3-carboxamide
SMILESCCCCCCn1c(C)cc(=O)c(C(=O)Nc2ccccc2Cl)c1CC
InChIInChI=1S/C21H27ClN2O2/c1-4-6-7-10-13-24-15(3)14-19(25)20(18(24)5-2)21(26)23-17-12-9-8-11-16(17)22/h8-9,11-12,14H,4-7,10,13H2,1-3H3,(H,23,26)
InChIKeyZNWZDPHAGSURHV-UHFFFAOYSA-N
MW374.91 g/mol
LogP5.21
Rot. Bonds8

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

N-(2-chlorophenyl)-2-ethyl-1-hexyl-6-methyl-4-oxopyridine-3-carboxamide (PubChem CID 23040770) has the molecular formula C21H27ClN2O2 and a molecular weight of 374.91 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-ethyl-1-hexyl-6-methyl-4-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-ethyl-1-hexyl-6-methyl-4-oxopyridine-3-carboxamide
PubChem CID23040770
Molecular FormulaC21H27ClN2O2
Molecular Weight374.91 g/mol
Exact Mass374.18
IUPAC NameN-(2-chlorophenyl)-2-ethyl-1-hexyl-6-methyl-4-oxopyridine-3-carboxamide
SMILESCCCCCCn1c(C)cc(=O)c(C(=O)Nc2ccccc2Cl)c1CC
InChIInChI=1S/C21H27ClN2O2/c1-4-6-7-10-13-24-15(3)14-19(25)20(18(24)5-2)21(26)23-17-12-9-8-11-16(17)22/h8-9,11-12,14H,4-7,10,13H2,1-3H3,(H,23,26)
InChIKeyZNWZDPHAGSURHV-UHFFFAOYSA-N
XLogP5.21
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.91
LogP ≤ 55.21
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)-2-ethyl-1-hexyl-6-methyl-4-oxopyridine-3-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-2-ethyl-1-hexyl-6-methyl-4-oxopyridine-3-carboxamide (CID 23040770) is N-(2-chlorophenyl)-2-ethyl-1-hexyl-6-methyl-4-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-ethyl-1-hexyl-6-methyl-4-oxopyridine-3-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-2-ethyl-1-hexyl-6-methyl-4-oxopyridine-3-carboxamide is CCCCCCn1c(C)cc(=O)c(C(=O)Nc2ccccc2Cl)c1CC.
What is the InChIKey of N-(2-chlorophenyl)-2-ethyl-1-hexyl-6-methyl-4-oxopyridine-3-carboxamide?
The InChIKey is ZNWZDPHAGSURHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O2/c1-4-6-7-10-13-24-15(3)14-19(25)20(18(24)5-2)21(26)23-17-12-9-8-11-16(17)22/h8-9,11-12,14H,4-7,10,13H2,1-3H3,(H,23,26).
What are the key properties of N-(2-chlorophenyl)-2-ethyl-1-hexyl-6-methyl-4-oxopyridine-3-carboxamide?
N-(2-chlorophenyl)-2-ethyl-1-hexyl-6-methyl-4-oxopyridine-3-carboxamide has a molecular weight of 374.91 g/mol, XLogP of 5.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-ethyl-1-hexyl-6-methyl-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 23040770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).