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

C13H20N2O2 — CID 141131988

IUPAC1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carboxamide
SMILESCCCCn1c(CC)c(C)cc(C(N)=O)c1=O
InChIInChI=1S/C13H20N2O2/c1-4-6-7-15-11(5-2)9(3)8-10(12(14)16)13(15)17/h8H,4-7H2,1-3H3,(H2,14,16)
InChIKeyVJWPANWPCUFORJ-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.62
Rot. Bonds5

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

1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carboxamide (PubChem CID 141131988) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carboxamide
PubChem CID141131988
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carboxamide
SMILESCCCCn1c(CC)c(C)cc(C(N)=O)c1=O
InChIInChI=1S/C13H20N2O2/c1-4-6-7-15-11(5-2)9(3)8-10(12(14)16)13(15)17/h8H,4-7H2,1-3H3,(H2,14,16)
InChIKeyVJWPANWPCUFORJ-UHFFFAOYSA-N
XLogP1.62
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carboxamide (CID 141131988) is 1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carboxamide is CCCCn1c(CC)c(C)cc(C(N)=O)c1=O.
What is the InChIKey of 1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is VJWPANWPCUFORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-6-7-15-11(5-2)9(3)8-10(12(14)16)13(15)17/h8H,4-7H2,1-3H3,(H2,14,16).
What are the key properties of 1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carboxamide?
1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 236.31 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 141131988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).