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

C13H20N2O2 — CID 146395949

IUPAC3,3-dimethyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]pentanamide
SMILESCCC(C)(C)CC(=O)NCc1ccc(=O)[nH]c1
InChIInChI=1S/C13H20N2O2/c1-4-13(2,3)7-12(17)15-9-10-5-6-11(16)14-8-10/h5-6,8H,4,7,9H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyXIDBHHRYUGCXGL-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.82
Rot. Bonds5

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

3,3-dimethyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]pentanamide (PubChem CID 146395949) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3,3-dimethyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]pentanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]pentanamide
PubChem CID146395949
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3,3-dimethyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]pentanamide
SMILESCCC(C)(C)CC(=O)NCc1ccc(=O)[nH]c1
InChIInChI=1S/C13H20N2O2/c1-4-13(2,3)7-12(17)15-9-10-5-6-11(16)14-8-10/h5-6,8H,4,7,9H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyXIDBHHRYUGCXGL-UHFFFAOYSA-N
XLogP1.82
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(6-oxo-1H-pyridin-3-yl)methylcarbamic acid
CID 155169577
(3R)-3-acetamido-3-(4-chlorophenyl)-N-[(6-oxo-1H-pyridin-3-yl)methyl]propanamide
CID 95352314
5-[(pentan-3-ylamino)methyl]-1H-pyridin-2-one
CID 138623183
5-[(4-bromophenyl)methylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 62934888
2,2-diethyl-4-[(4-fluorophenyl)methylamino]-4-oxobutanoic acid
CID 43397365
N-[(4-aminophenyl)methyl]-3,3-dimethylbutanamide
CID 60893152
3-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]-2-piperidin-1-ylbutanamide
CID 136526696
carbon dioxide;ethyl 2-methyl-2-(6-oxo-1H-pyridin-3-yl)butanoate
CID 176538040
4-amino-N-(3H-benzimidazol-5-ylmethyl)-3,3-dimethylbutanamide
CID 115157341
N-[(4-hydroxyphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 115577610
N'-[(4-fluorophenyl)methyl]-2,2-dimethylbutanediamide
CID 21268066
N-[(4-fluorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 4801056

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]pentanamide?
The IUPAC name of 3,3-dimethyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]pentanamide (CID 146395949) is 3,3-dimethyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]pentanamide.
What is the SMILES notation for 3,3-dimethyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]pentanamide?
The canonical SMILES for 3,3-dimethyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]pentanamide is CCC(C)(C)CC(=O)NCc1ccc(=O)[nH]c1.
What is the InChIKey of 3,3-dimethyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]pentanamide?
The InChIKey is XIDBHHRYUGCXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-13(2,3)7-12(17)15-9-10-5-6-11(16)14-8-10/h5-6,8H,4,7,9H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of 3,3-dimethyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]pentanamide?
3,3-dimethyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]pentanamide has a molecular weight of 236.31 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]pentanamide is sourced from PubChem (CID 146395949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).