N-benzyl-1-butyl-5,6-dimethyl-2-oxopyridine-3-carboxamide

C19H24N2O2 — CID 71660059

IUPACN-benzyl-1-butyl-5,6-dimethyl-2-oxopyridine-3-carboxamide
SMILESCCCCn1c(C)c(C)cc(C(=O)NCc2ccccc2)c1=O
InChIInChI=1S/C19H24N2O2/c1-4-5-11-21-15(3)14(2)12-17(19(21)23)18(22)20-13-16-9-7-6-8-10-16/h6-10,12H,4-5,11,13H2,1-3H3,(H,20,22)
InChIKeyKKHOPLIFMNQYLV-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.20
Rot. Bonds6

About N-benzyl-1-butyl-5,6-dimethyl-2-oxopyridine-3-carboxamide

N-benzyl-1-butyl-5,6-dimethyl-2-oxopyridine-3-carboxamide (PubChem CID 71660059) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-benzyl-1-butyl-5,6-dimethyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-butyl-5,6-dimethyl-2-oxopyridine-3-carboxamide
PubChem CID71660059
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-benzyl-1-butyl-5,6-dimethyl-2-oxopyridine-3-carboxamide
SMILESCCCCn1c(C)c(C)cc(C(=O)NCc2ccccc2)c1=O
InChIInChI=1S/C19H24N2O2/c1-4-5-11-21-15(3)14(2)12-17(19(21)23)18(22)20-13-16-9-7-6-8-10-16/h6-10,12H,4-5,11,13H2,1-3H3,(H,20,22)
InChIKeyKKHOPLIFMNQYLV-UHFFFAOYSA-N
XLogP3.20
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.20
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-5,6-dimethyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-benzyl-1-butyl-5,6-dimethyl-2-oxopyridine-3-carboxamide (CID 71660059) is N-benzyl-1-butyl-5,6-dimethyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-butyl-5,6-dimethyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-benzyl-1-butyl-5,6-dimethyl-2-oxopyridine-3-carboxamide is CCCCn1c(C)c(C)cc(C(=O)NCc2ccccc2)c1=O.
What is the InChIKey of N-benzyl-1-butyl-5,6-dimethyl-2-oxopyridine-3-carboxamide?
The InChIKey is KKHOPLIFMNQYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-4-5-11-21-15(3)14(2)12-17(19(21)23)18(22)20-13-16-9-7-6-8-10-16/h6-10,12H,4-5,11,13H2,1-3H3,(H,20,22).
What are the key properties of N-benzyl-1-butyl-5,6-dimethyl-2-oxopyridine-3-carboxamide?
N-benzyl-1-butyl-5,6-dimethyl-2-oxopyridine-3-carboxamide has a molecular weight of 312.41 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-butyl-5,6-dimethyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 71660059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).