N-benzyl-1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carboxamide

C20H26N2O2 — CID 23588031

IUPACN-benzyl-1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carboxamide
SMILESCCCCn1c(CC)c(C)cc(C(=O)NCc2ccccc2)c1=O
InChIInChI=1S/C20H26N2O2/c1-4-6-12-22-18(5-2)15(3)13-17(20(22)24)19(23)21-14-16-10-8-7-9-11-16/h7-11,13H,4-6,12,14H2,1-3H3,(H,21,23)
InChIKeyZKAMYFKSRGZWDY-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.45
Rot. Bonds7

About N-benzyl-1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carboxamide

N-benzyl-1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carboxamide (PubChem CID 23588031) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-benzyl-1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carboxamide
PubChem CID23588031
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-benzyl-1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carboxamide
SMILESCCCCn1c(CC)c(C)cc(C(=O)NCc2ccccc2)c1=O
InChIInChI=1S/C20H26N2O2/c1-4-6-12-22-18(5-2)15(3)13-17(20(22)24)19(23)21-14-16-10-8-7-9-11-16/h7-11,13H,4-6,12,14H2,1-3H3,(H,21,23)
InChIKeyZKAMYFKSRGZWDY-UHFFFAOYSA-N
XLogP3.45
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-benzyl-1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carboxamide (CID 23588031) is N-benzyl-1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-benzyl-1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carboxamide is CCCCn1c(CC)c(C)cc(C(=O)NCc2ccccc2)c1=O.
What is the InChIKey of N-benzyl-1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is ZKAMYFKSRGZWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-4-6-12-22-18(5-2)15(3)13-17(20(22)24)19(23)21-14-16-10-8-7-9-11-16/h7-11,13H,4-6,12,14H2,1-3H3,(H,21,23).
What are the key properties of N-benzyl-1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carboxamide?
N-benzyl-1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 23588031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).