N-(2,2-dimethylheptyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide

C16H26N2O2 — CID 103747347

IUPACN-(2,2-dimethylheptyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCCCCCC(C)(C)CNC(=O)c1c[nH]c(C)cc1=O
InChIInChI=1S/C16H26N2O2/c1-5-6-7-8-16(3,4)11-18-15(20)13-10-17-12(2)9-14(13)19/h9-10H,5-8,11H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyMNQOUOAOTHYEHK-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.02
Rot. Bonds7

About N-(2,2-dimethylheptyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide

N-(2,2-dimethylheptyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 103747347) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(2,2-dimethylheptyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylheptyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
PubChem CID103747347
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-(2,2-dimethylheptyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCCCCCC(C)(C)CNC(=O)c1c[nH]c(C)cc1=O
InChIInChI=1S/C16H26N2O2/c1-5-6-7-8-16(3,4)11-18-15(20)13-10-17-12(2)9-14(13)19/h9-10H,5-8,11H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyMNQOUOAOTHYEHK-UHFFFAOYSA-N
XLogP3.02
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-2-methylpentyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103718353
5-amino-N-(2,2-dimethylheptyl)-2-fluoro-3-methylbenzamide
CID 103296661
N-[2-(ethylamino)ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103806326
N-(2-aminoethyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103804777
N,N-dibutyl-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103717584
N-[(2R)-2-hydroxypropyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103884747
N-(4-methoxybutyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 113242386
N-(2,2-dimethylheptyl)-5-ethyl-1,2-oxazole-3-carboxamide
CID 160550782
N-(2,2-dimethylheptyl)-3-(methylamino)pyridine-4-carboxamide
CID 105070761
N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 90091418
N-butyl-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 110855743
6-methyl-N-(3-methyl-2-oxobutyl)-4-oxo-1H-pyridine-3-carboxamide
CID 104860774

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylheptyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2,2-dimethylheptyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide (CID 103747347) is N-(2,2-dimethylheptyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2,2-dimethylheptyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2,2-dimethylheptyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide is CCCCCC(C)(C)CNC(=O)c1c[nH]c(C)cc1=O.
What is the InChIKey of N-(2,2-dimethylheptyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is MNQOUOAOTHYEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-6-7-8-16(3,4)11-18-15(20)13-10-17-12(2)9-14(13)19/h9-10H,5-8,11H2,1-4H3,(H,17,19)(H,18,20).
What are the key properties of N-(2,2-dimethylheptyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
N-(2,2-dimethylheptyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylheptyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103747347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).