6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxo-N-propan-2-ylpyridine-3-carboxamide

C17H28N2O2 — CID 59718799

IUPAC6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxo-N-propan-2-ylpyridine-3-carboxamide
SMILESCCc1c(C)cc(C(=O)NC(C)C)c(=O)n1CCC(C)C
InChIInChI=1S/C17H28N2O2/c1-7-15-13(6)10-14(16(20)18-12(4)5)17(21)19(15)9-8-11(2)3/h10-12H,7-9H2,1-6H3,(H,18,20)
InChIKeyUNIZQEHKLWLQKW-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.90
Rot. Bonds6

About 6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxo-N-propan-2-ylpyridine-3-carboxamide

6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxo-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 59718799) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxo-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxo-N-propan-2-ylpyridine-3-carboxamide
PubChem CID59718799
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxo-N-propan-2-ylpyridine-3-carboxamide
SMILESCCc1c(C)cc(C(=O)NC(C)C)c(=O)n1CCC(C)C
InChIInChI=1S/C17H28N2O2/c1-7-15-13(6)10-14(16(20)18-12(4)5)17(21)19(15)9-8-11(2)3/h10-12H,7-9H2,1-6H3,(H,18,20)
InChIKeyUNIZQEHKLWLQKW-UHFFFAOYSA-N
XLogP2.90
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxo-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxo-N-propan-2-ylpyridine-3-carboxamide (CID 59718799) is 6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxo-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxo-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxo-N-propan-2-ylpyridine-3-carboxamide is CCc1c(C)cc(C(=O)NC(C)C)c(=O)n1CCC(C)C.
What is the InChIKey of 6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxo-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is UNIZQEHKLWLQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-7-15-13(6)10-14(16(20)18-12(4)5)17(21)19(15)9-8-11(2)3/h10-12H,7-9H2,1-6H3,(H,18,20).
What are the key properties of 6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxo-N-propan-2-ylpyridine-3-carboxamide?
6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxo-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 292.42 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxo-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 59718799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).