N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-ethylbutanamide

C14H22N2O2 — CID 84559992

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCc1c(C)cc(C)[nH]c1=O
InChIInChI=1S/C14H22N2O2/c1-5-11(6-2)13(17)15-8-12-9(3)7-10(4)16-14(12)18/h7,11H,5-6,8H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyMNXULFGZHYDKHL-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.04
Rot. Bonds5

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-ethylbutanamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-ethylbutanamide (PubChem CID 84559992) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-ethylbutanamide
PubChem CID84559992
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCc1c(C)cc(C)[nH]c1=O
InChIInChI=1S/C14H22N2O2/c1-5-11(6-2)13(17)15-8-12-9(3)7-10(4)16-14(12)18/h7,11H,5-6,8H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyMNXULFGZHYDKHL-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]hexanamide
CID 38743387
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-phenylacetamide
CID 71901607
(2R)-2-(cyclopropylmethoxy)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]propanamide
CID 95977136
3-amino-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]butanamide;hydrochloride
CID 119694321
N-[(2S)-1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 31642872
2-methylbutan-2-yl N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate
CID 126605003
2-(2,6-dichlorophenyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide
CID 17405202
3-amino-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]pyrazine-2-carboxamide
CID 41416693
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-(2-hydroxypropan-2-yl)benzamide
CID 71569515
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 18119515
1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(1S)-1-thiophen-2-ylpropyl]urea
CID 95976656
(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylbutanamide
CID 95977214

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-ethylbutanamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-ethylbutanamide (CID 84559992) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-ethylbutanamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-ethylbutanamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-ethylbutanamide is CCC(CC)C(=O)NCc1c(C)cc(C)[nH]c1=O.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-ethylbutanamide?
The InChIKey is MNXULFGZHYDKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-5-11(6-2)13(17)15-8-12-9(3)7-10(4)16-14(12)18/h7,11H,5-6,8H2,1-4H3,(H,15,17)(H,16,18).
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-ethylbutanamide?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-ethylbutanamide has a molecular weight of 250.34 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-ethylbutanamide is sourced from PubChem (CID 84559992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).