N-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]butanamide

C14H22N2O2 — CID 19012292

IUPACN-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]butanamide
SMILESCCCCc1ccc(CNC(=O)CCC)c(=O)[nH]1
InChIInChI=1S/C14H22N2O2/c1-3-5-7-12-9-8-11(14(18)16-12)10-15-13(17)6-4-2/h8-9H,3-7,10H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyMZHAGPKSWMKMJE-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.13
Rot. Bonds7

About N-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]butanamide

N-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]butanamide (PubChem CID 19012292) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]butanamide.

Molecular Properties

Compound NameN-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]butanamide
PubChem CID19012292
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]butanamide
SMILESCCCCc1ccc(CNC(=O)CCC)c(=O)[nH]1
InChIInChI=1S/C14H22N2O2/c1-3-5-7-12-9-8-11(14(18)16-12)10-15-13(17)6-4-2/h8-9H,3-7,10H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyMZHAGPKSWMKMJE-UHFFFAOYSA-N
XLogP2.13
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-butyl-2-oxo-N-propan-2-yl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 59718804
3-(Aminomethyl)-4,6-dimethyl-1,2-dihydropyridin-2-one
CID 7063844
6-methyl-4-oxo-1-pentyl-N-propan-2-ylpyridine-3-carboxamide
CID 49820780
3-(Aminomethyl)-6-methyl-4-propylpyridin-2(1H)-oneacetate
CID 67124140
N-[3-(diethylamino)propyl]-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 14444317
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpropanamide
CID 41506759
3-(aminomethyl)-1H,2H,5H,6H,7H-cyclopenta[b]pyridin-2-one
CID 52190599
2-oxo-N-(propan-2-yl)-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
CID 56922070
3-(azocane-1-carbonyl)-4,6-dimethyl-1H-pyridin-2-one
CID 72030073
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpent-2-enamide
CID 72155658
6-ethyl-2-oxo-N-(piperidin-3-ylmethyl)-1,2-dihydropyridine-4-carboxamide
CID 74244916
N-[(1S*,3R*)-3-aminocyclopentyl]-6-ethyl-2-oxo-1,2-dihydropyridine-4-carboxamide
CID 74245774

Frequently Asked Questions

What is the IUPAC name of N-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]butanamide?
The IUPAC name of N-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]butanamide (CID 19012292) is N-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]butanamide.
What is the SMILES notation for N-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]butanamide?
The canonical SMILES for N-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]butanamide is CCCCc1ccc(CNC(=O)CCC)c(=O)[nH]1.
What is the InChIKey of N-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]butanamide?
The InChIKey is MZHAGPKSWMKMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-5-7-12-9-8-11(14(18)16-12)10-15-13(17)6-4-2/h8-9H,3-7,10H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]butanamide?
N-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]butanamide has a molecular weight of 250.34 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]butanamide is sourced from PubChem (CID 19012292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).