6-methyl-N-(4-methylhexan-2-yl)-4-oxo-1H-pyridine-3-carboxamide

C14H22N2O2 — CID 102554862

IUPAC6-methyl-N-(4-methylhexan-2-yl)-4-oxo-1H-pyridine-3-carboxamide
SMILESCCC(C)CC(C)NC(=O)c1c[nH]c(C)cc1=O
InChIInChI=1S/C14H22N2O2/c1-5-9(2)6-11(4)16-14(18)12-8-15-10(3)7-13(12)17/h7-9,11H,5-6H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyCKCSYOXRHFPYLT-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.24
Rot. Bonds5

About 6-methyl-N-(4-methylhexan-2-yl)-4-oxo-1H-pyridine-3-carboxamide

6-methyl-N-(4-methylhexan-2-yl)-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 102554862) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 6-methyl-N-(4-methylhexan-2-yl)-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(4-methylhexan-2-yl)-4-oxo-1H-pyridine-3-carboxamide
PubChem CID102554862
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name6-methyl-N-(4-methylhexan-2-yl)-4-oxo-1H-pyridine-3-carboxamide
SMILESCCC(C)CC(C)NC(=O)c1c[nH]c(C)cc1=O
InChIInChI=1S/C14H22N2O2/c1-5-9(2)6-11(4)16-14(18)12-8-15-10(3)7-13(12)17/h7-9,11H,5-6H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyCKCSYOXRHFPYLT-UHFFFAOYSA-N
XLogP2.24
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(4-methylhexan-2-yl)-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-(4-methylhexan-2-yl)-4-oxo-1H-pyridine-3-carboxamide (CID 102554862) is 6-methyl-N-(4-methylhexan-2-yl)-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-(4-methylhexan-2-yl)-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-(4-methylhexan-2-yl)-4-oxo-1H-pyridine-3-carboxamide is CCC(C)CC(C)NC(=O)c1c[nH]c(C)cc1=O.
What is the InChIKey of 6-methyl-N-(4-methylhexan-2-yl)-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is CKCSYOXRHFPYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-5-9(2)6-11(4)16-14(18)12-8-15-10(3)7-13(12)17/h7-9,11H,5-6H2,1-4H3,(H,15,17)(H,16,18).
What are the key properties of 6-methyl-N-(4-methylhexan-2-yl)-4-oxo-1H-pyridine-3-carboxamide?
6-methyl-N-(4-methylhexan-2-yl)-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 250.34 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(4-methylhexan-2-yl)-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 102554862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).