1-ethyl-4-(1-ethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)pyridin-2-one

C15H20N2O2 — CID 138387519

IUPAC1-ethyl-4-(1-ethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)pyridin-2-one
SMILESCCn1ccc(C(=O)N2CC3CC3(CC)C2)cc1=O
InChIInChI=1S/C15H20N2O2/c1-3-15-8-12(15)9-17(10-15)14(19)11-5-6-16(4-2)13(18)7-11/h5-7,12H,3-4,8-10H2,1-2H3
InChIKeyYDIORMFIUJBFFH-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.74
Rot. Bonds3

About 1-ethyl-4-(1-ethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)pyridin-2-one

1-ethyl-4-(1-ethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)pyridin-2-one (PubChem CID 138387519) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-ethyl-4-(1-ethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-4-(1-ethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)pyridin-2-one
PubChem CID138387519
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-ethyl-4-(1-ethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)pyridin-2-one
SMILESCCn1ccc(C(=O)N2CC3CC3(CC)C2)cc1=O
InChIInChI=1S/C15H20N2O2/c1-3-15-8-12(15)9-17(10-15)14(19)11-5-6-16(4-2)13(18)7-11/h5-7,12H,3-4,8-10H2,1-2H3
InChIKeyYDIORMFIUJBFFH-UHFFFAOYSA-N
XLogP1.74
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azocane-1-carbonyl)-1-ethylpyridin-2-one
CID 74249419
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1-ethyl-4-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonane-7-carbonyl]pyridin-2-one
CID 72859044
4-[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-1-ethylpyridin-2-one
CID 72902347
4-[(3S)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidine-1-carbonyl]-1-ethylpyridin-2-one
CID 95720033
1-ethyl-4-[(4R)-4-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyridin-2-one
CID 96575454
4-[3-(4-aminopiperidin-1-yl)pyrrolidine-1-carbonyl]-1-ethylpyridin-2-one
CID 167804541
1-ethyl-4-(3-methyl-3-phenylpiperidine-1-carbonyl)pyridin-2-one
CID 72931976
(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 138384123
4-[(3R,4R)-3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidine-1-carbonyl]-1-ethylpyridin-2-one
CID 70707207
N-[(3S,4R)-1-(1-ethyl-2-oxopyridine-4-carbonyl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide
CID 70722712
1-ethyl-4-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)pyridin-2-one
CID 77085377

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(1-ethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)pyridin-2-one?
The IUPAC name of 1-ethyl-4-(1-ethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)pyridin-2-one (CID 138387519) is 1-ethyl-4-(1-ethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)pyridin-2-one.
What is the SMILES notation for 1-ethyl-4-(1-ethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)pyridin-2-one?
The canonical SMILES for 1-ethyl-4-(1-ethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)pyridin-2-one is CCn1ccc(C(=O)N2CC3CC3(CC)C2)cc1=O.
What is the InChIKey of 1-ethyl-4-(1-ethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)pyridin-2-one?
The InChIKey is YDIORMFIUJBFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-15-8-12(15)9-17(10-15)14(19)11-5-6-16(4-2)13(18)7-11/h5-7,12H,3-4,8-10H2,1-2H3.
What are the key properties of 1-ethyl-4-(1-ethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)pyridin-2-one?
1-ethyl-4-(1-ethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)pyridin-2-one has a molecular weight of 260.34 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(1-ethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)pyridin-2-one is sourced from PubChem (CID 138387519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).