3-(4-cyclopentyl-1,4-diazepane-1-carbonyl)-1-ethyl-4,6-dimethylpyridin-2-one

C20H31N3O2 — CID 70788055

IUPAC3-(4-cyclopentyl-1,4-diazepane-1-carbonyl)-1-ethyl-4,6-dimethylpyridin-2-one
SMILESCCn1c(C)cc(C)c(C(=O)N2CCCN(C3CCCC3)CC2)c1=O
InChIInChI=1S/C20H31N3O2/c1-4-23-16(3)14-15(2)18(20(23)25)19(24)22-11-7-10-21(12-13-22)17-8-5-6-9-17/h14,17H,4-13H2,1-3H3
InChIKeyVLCYKDAMRQMIDY-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.58
Rot. Bonds3

About 3-(4-cyclopentyl-1,4-diazepane-1-carbonyl)-1-ethyl-4,6-dimethylpyridin-2-one

3-(4-cyclopentyl-1,4-diazepane-1-carbonyl)-1-ethyl-4,6-dimethylpyridin-2-one (PubChem CID 70788055) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 3-(4-cyclopentyl-1,4-diazepane-1-carbonyl)-1-ethyl-4,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name3-(4-cyclopentyl-1,4-diazepane-1-carbonyl)-1-ethyl-4,6-dimethylpyridin-2-one
PubChem CID70788055
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name3-(4-cyclopentyl-1,4-diazepane-1-carbonyl)-1-ethyl-4,6-dimethylpyridin-2-one
SMILESCCn1c(C)cc(C)c(C(=O)N2CCCN(C3CCCC3)CC2)c1=O
InChIInChI=1S/C20H31N3O2/c1-4-23-16(3)14-15(2)18(20(23)25)19(24)22-11-7-10-21(12-13-22)17-8-5-6-9-17/h14,17H,4-13H2,1-3H3
InChIKeyVLCYKDAMRQMIDY-UHFFFAOYSA-N
XLogP2.58
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-{[(3S)-3-(dimethylamino)azepan-1-yl]carbonyl}-6-isopropyl-1-methylpyridin-2(1H)-one
CID 70777443
N-(2-azepan-1-ylethyl)-1-ethyl-N-isopropyl-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 50960473
3-{[4-(cyclopropylmethyl)-3-isopropyl-1,4-diazepan-1-yl]carbonyl}-6-isopropyl-1-methyl-2(1H)-pyridinone
CID 56875133
(7E)-1,3,4-trimethyl-7-[(2Z)-penta-2,4-dienylidene]-3,8-dihydro-1,4-benzodiazepine-2,5-dione
CID 59950675
N-(2-azepan-1-ylethyl)-N-isopropyl-6-methyl-2-oxo-1,2-dihydropyridine-4-carboxamide
CID 50957697
6-ethyl-3-[(9aS)-hexahydro-1H-pyrrolo[1,2-a][1,4]diazepin-2(3H)-ylcarbonyl]-1,5-dimethylpyridin-2(1H)-one
CID 56875245
N,1,4,6-tetramethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 56880978
3-{[4-(dimethylamino)-1-azepanyl]carbonyl}-6-ethyl-1,5-dimethyl-2(1H)-pyridinone
CID 56897965
3-{[4-(dimethylamino)-1-azepanyl]carbonyl}-1-ethyl-6-methyl-2(1H)-pyridinone
CID 56914847
3-(azepane-1-carbonyl)-4,6-dimethyl-1H-pyridin-2-one
CID 60716132
3-Acetyl-1-[2-(azepan-1-yl)-2-oxoethyl]-6-methylpyridin-2-one
CID 82064693
1-Cyclopentyl-4,6-dimethyl-3-(piperazine-1-carbonyl)pyridin-2-one
CID 82525752

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopentyl-1,4-diazepane-1-carbonyl)-1-ethyl-4,6-dimethylpyridin-2-one?
The IUPAC name of 3-(4-cyclopentyl-1,4-diazepane-1-carbonyl)-1-ethyl-4,6-dimethylpyridin-2-one (CID 70788055) is 3-(4-cyclopentyl-1,4-diazepane-1-carbonyl)-1-ethyl-4,6-dimethylpyridin-2-one.
What is the SMILES notation for 3-(4-cyclopentyl-1,4-diazepane-1-carbonyl)-1-ethyl-4,6-dimethylpyridin-2-one?
The canonical SMILES for 3-(4-cyclopentyl-1,4-diazepane-1-carbonyl)-1-ethyl-4,6-dimethylpyridin-2-one is CCn1c(C)cc(C)c(C(=O)N2CCCN(C3CCCC3)CC2)c1=O.
What is the InChIKey of 3-(4-cyclopentyl-1,4-diazepane-1-carbonyl)-1-ethyl-4,6-dimethylpyridin-2-one?
The InChIKey is VLCYKDAMRQMIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-4-23-16(3)14-15(2)18(20(23)25)19(24)22-11-7-10-21(12-13-22)17-8-5-6-9-17/h14,17H,4-13H2,1-3H3.
What are the key properties of 3-(4-cyclopentyl-1,4-diazepane-1-carbonyl)-1-ethyl-4,6-dimethylpyridin-2-one?
3-(4-cyclopentyl-1,4-diazepane-1-carbonyl)-1-ethyl-4,6-dimethylpyridin-2-one has a molecular weight of 345.49 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopentyl-1,4-diazepane-1-carbonyl)-1-ethyl-4,6-dimethylpyridin-2-one is sourced from PubChem (CID 70788055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).