2,4-dimethyl-N,1-bis(2-methylbutyl)-6-oxopyridine-3-carboxamide

C18H30N2O2 — CID 12920969

IUPAC2,4-dimethyl-N,1-bis(2-methylbutyl)-6-oxopyridine-3-carboxamide
SMILESCCC(C)CNC(=O)c1c(C)cc(=O)n(CC(C)CC)c1C
InChIInChI=1S/C18H30N2O2/c1-7-12(3)10-19-18(22)17-14(5)9-16(21)20(15(17)6)11-13(4)8-2/h9,12-13H,7-8,10-11H2,1-6H3,(H,19,22)
InChIKeyIJQAMMCJQUGNST-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.29
Rot. Bonds7

About 2,4-dimethyl-N,1-bis(2-methylbutyl)-6-oxopyridine-3-carboxamide

2,4-dimethyl-N,1-bis(2-methylbutyl)-6-oxopyridine-3-carboxamide (PubChem CID 12920969) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 2,4-dimethyl-N,1-bis(2-methylbutyl)-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N,1-bis(2-methylbutyl)-6-oxopyridine-3-carboxamide
PubChem CID12920969
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name2,4-dimethyl-N,1-bis(2-methylbutyl)-6-oxopyridine-3-carboxamide
SMILESCCC(C)CNC(=O)c1c(C)cc(=O)n(CC(C)CC)c1C
InChIInChI=1S/C18H30N2O2/c1-7-12(3)10-19-18(22)17-14(5)9-16(21)20(15(17)6)11-13(4)8-2/h9,12-13H,7-8,10-11H2,1-6H3,(H,19,22)
InChIKeyIJQAMMCJQUGNST-UHFFFAOYSA-N
XLogP3.29
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Methyl-1-(3-methylbutyl)-4-(3-methylbutylamino)pyridin-2-one
CID 127048645
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpropanamide
CID 41506759
N,5,6-trimethyl-N-[(2S)-4-(methylamino)-4-oxobutan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 97894384
N-methyl-N-(2-methylprop-2-enyl)-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide
CID 132377417
N-ethyl-2-[[4-(trifluoromethyl)cyclohexa-2,4-diene-1-carbonyl]amino]cyclohexa-1,3-diene-1-carboxamide
CID 134460192
5-[5-[(3E,5E)-6-fluorohexa-1,3,5-trien-3-yl]-4-methyl-2-oxo-1-pyridinyl]-N-methylcyclohexa-2,4-diene-1-carboxamide
CID 147443672
N,1,2,4-tetramethyl-6-oxopyridine-3-carboxamide
CID 10921409
N,1-dicyclohexyl-2,4-dimethyl-6-oxopyridine-3-carboxamide
CID 12920962
N,1-didodecyl-2,4-dimethyl-6-oxopyridine-3-carboxamide
CID 12920964
N,1-dibutyl-2,4-dimethyl-6-oxopyridine-3-carboxamide
CID 12920965
3-Acetyl-1,6-dimethyl-4-(methylamino)-2-pyridone
CID 16205538
N-Ethyl-1,6-dihydro-4-methyl-6-oxo-3-pyridinecarboxamide
CID 133634244

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N,1-bis(2-methylbutyl)-6-oxopyridine-3-carboxamide?
The IUPAC name of 2,4-dimethyl-N,1-bis(2-methylbutyl)-6-oxopyridine-3-carboxamide (CID 12920969) is 2,4-dimethyl-N,1-bis(2-methylbutyl)-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N,1-bis(2-methylbutyl)-6-oxopyridine-3-carboxamide?
The canonical SMILES for 2,4-dimethyl-N,1-bis(2-methylbutyl)-6-oxopyridine-3-carboxamide is CCC(C)CNC(=O)c1c(C)cc(=O)n(CC(C)CC)c1C.
What is the InChIKey of 2,4-dimethyl-N,1-bis(2-methylbutyl)-6-oxopyridine-3-carboxamide?
The InChIKey is IJQAMMCJQUGNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-7-12(3)10-19-18(22)17-14(5)9-16(21)20(15(17)6)11-13(4)8-2/h9,12-13H,7-8,10-11H2,1-6H3,(H,19,22).
What are the key properties of 2,4-dimethyl-N,1-bis(2-methylbutyl)-6-oxopyridine-3-carboxamide?
2,4-dimethyl-N,1-bis(2-methylbutyl)-6-oxopyridine-3-carboxamide has a molecular weight of 306.45 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N,1-bis(2-methylbutyl)-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 12920969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).