1-butyl-5-ethyl-N-methyl-2-oxo-6-propylpyridine-3-carboxamide

C16H26N2O2 — CID 69474044

IUPAC1-butyl-5-ethyl-N-methyl-2-oxo-6-propylpyridine-3-carboxamide
SMILESCCCCn1c(CCC)c(CC)cc(C(=O)NC)c1=O
InChIInChI=1S/C16H26N2O2/c1-5-8-10-18-14(9-6-2)12(7-3)11-13(16(18)20)15(19)17-4/h11H,5-10H2,1-4H3,(H,17,19)
InChIKeyVQRPIJHBARTNEN-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.52
Rot. Bonds7

About 1-butyl-5-ethyl-N-methyl-2-oxo-6-propylpyridine-3-carboxamide

1-butyl-5-ethyl-N-methyl-2-oxo-6-propylpyridine-3-carboxamide (PubChem CID 69474044) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-butyl-5-ethyl-N-methyl-2-oxo-6-propylpyridine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-5-ethyl-N-methyl-2-oxo-6-propylpyridine-3-carboxamide
PubChem CID69474044
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-butyl-5-ethyl-N-methyl-2-oxo-6-propylpyridine-3-carboxamide
SMILESCCCCn1c(CCC)c(CC)cc(C(=O)NC)c1=O
InChIInChI=1S/C16H26N2O2/c1-5-8-10-18-14(9-6-2)12(7-3)11-13(16(18)20)15(19)17-4/h11H,5-10H2,1-4H3,(H,17,19)
InChIKeyVQRPIJHBARTNEN-UHFFFAOYSA-N
XLogP2.52
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-ethyl-N-methyl-2-oxo-6-propylpyridine-3-carboxamide?
The IUPAC name of 1-butyl-5-ethyl-N-methyl-2-oxo-6-propylpyridine-3-carboxamide (CID 69474044) is 1-butyl-5-ethyl-N-methyl-2-oxo-6-propylpyridine-3-carboxamide.
What is the SMILES notation for 1-butyl-5-ethyl-N-methyl-2-oxo-6-propylpyridine-3-carboxamide?
The canonical SMILES for 1-butyl-5-ethyl-N-methyl-2-oxo-6-propylpyridine-3-carboxamide is CCCCn1c(CCC)c(CC)cc(C(=O)NC)c1=O.
What is the InChIKey of 1-butyl-5-ethyl-N-methyl-2-oxo-6-propylpyridine-3-carboxamide?
The InChIKey is VQRPIJHBARTNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-8-10-18-14(9-6-2)12(7-3)11-13(16(18)20)15(19)17-4/h11H,5-10H2,1-4H3,(H,17,19).
What are the key properties of 1-butyl-5-ethyl-N-methyl-2-oxo-6-propylpyridine-3-carboxamide?
1-butyl-5-ethyl-N-methyl-2-oxo-6-propylpyridine-3-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-ethyl-N-methyl-2-oxo-6-propylpyridine-3-carboxamide is sourced from PubChem (CID 69474044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).