N-hexyl-6-methyl-4-oxo-1-propylpyridine-2-carboxamide

C16H26N2O2 — CID 143049835

IUPACN-hexyl-6-methyl-4-oxo-1-propylpyridine-2-carboxamide
SMILESCCCCCCNC(=O)c1cc(=O)cc(C)n1CCC
InChIInChI=1S/C16H26N2O2/c1-4-6-7-8-9-17-16(20)15-12-14(19)11-13(3)18(15)10-5-2/h11-12H,4-10H2,1-3H3,(H,17,20)
InChIKeyPLGNDLRIKJHLSD-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.88
Rot. Bonds8

About N-hexyl-6-methyl-4-oxo-1-propylpyridine-2-carboxamide

N-hexyl-6-methyl-4-oxo-1-propylpyridine-2-carboxamide (PubChem CID 143049835) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-hexyl-6-methyl-4-oxo-1-propylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-hexyl-6-methyl-4-oxo-1-propylpyridine-2-carboxamide
PubChem CID143049835
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-hexyl-6-methyl-4-oxo-1-propylpyridine-2-carboxamide
SMILESCCCCCCNC(=O)c1cc(=O)cc(C)n1CCC
InChIInChI=1S/C16H26N2O2/c1-4-6-7-8-9-17-16(20)15-12-14(19)11-13(3)18(15)10-5-2/h11-12H,4-10H2,1-3H3,(H,17,20)
InChIKeyPLGNDLRIKJHLSD-UHFFFAOYSA-N
XLogP2.88
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3,6-dioxo-4-(2-piperidin-1-ylethylamino)cyclohexa-1,4-dien-1-yl]acetamide
CID 137634599
N-[3,6-dioxo-4-(2-pyrrolidin-1-ylethylamino)cyclohexa-1,4-dien-1-yl]acetamide
CID 137653161
2,5-Bis(hexylamino)cyclohexa-2,5-diene-1,4-dione
CID 21238371
2,5-Bis(pentylamino)cyclohexa-2,5-diene-1,4-dione
CID 67826281
Acetamide, N-(5-oxo-4-((2-piperidinoethyl)amino)-1,3,6-cycloheptatrien-1-yl)-
CID 27348
N-butyl-2-[[(4-hydroxy-3,5-dimethyl-2-pyridinyl)methyl](methyl)amino]acetamide
CID 91842484
4-hydroxy-6-methyl-N-[1-(1-piperidinylmethyl)cyclopropyl]-2-pyridinecarboxamide
CID 118761350
N-[(1S)-1-(aminocarbonyl)-3-methylbutyl]-1,6-dimethyl-4-oxo-1,4-dihydropyridine-2-carboxamide
CID 121498105
2-[(4,4-Difluoro-1-piperidinyl)carbonyl]-6-methyl-4-pyridinol
CID 121510161
1,6-dimethyl-N-[[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-4-oxopyridine-2-carboxamide
CID 125157549
(Z)-3-[4-[(E)-4-(2-fluoroethylamino)but-2-enoyl]-2-methylidenepiperazin-1-yl]hept-3-en-2-one
CID 177231750
2-(2-(azepan-1-ylmethyl)-5-methoxy-4-oxopyridin-1(4H)-yl)-N-propylacetamide
CID 18566934

Frequently Asked Questions

What is the IUPAC name of N-hexyl-6-methyl-4-oxo-1-propylpyridine-2-carboxamide?
The IUPAC name of N-hexyl-6-methyl-4-oxo-1-propylpyridine-2-carboxamide (CID 143049835) is N-hexyl-6-methyl-4-oxo-1-propylpyridine-2-carboxamide.
What is the SMILES notation for N-hexyl-6-methyl-4-oxo-1-propylpyridine-2-carboxamide?
The canonical SMILES for N-hexyl-6-methyl-4-oxo-1-propylpyridine-2-carboxamide is CCCCCCNC(=O)c1cc(=O)cc(C)n1CCC.
What is the InChIKey of N-hexyl-6-methyl-4-oxo-1-propylpyridine-2-carboxamide?
The InChIKey is PLGNDLRIKJHLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-6-7-8-9-17-16(20)15-12-14(19)11-13(3)18(15)10-5-2/h11-12H,4-10H2,1-3H3,(H,17,20).
What are the key properties of N-hexyl-6-methyl-4-oxo-1-propylpyridine-2-carboxamide?
N-hexyl-6-methyl-4-oxo-1-propylpyridine-2-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-6-methyl-4-oxo-1-propylpyridine-2-carboxamide is sourced from PubChem (CID 143049835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).