3-[4-(dimethylamino)azepane-1-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one

C18H29N3O2 — CID 56897965

IUPAC3-[4-(dimethylamino)azepane-1-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one
SMILESCCc1c(C)cc(C(=O)N2CCCC(N(C)C)CC2)c(=O)n1C
InChIInChI=1S/C18H29N3O2/c1-6-16-13(2)12-15(17(22)20(16)5)18(23)21-10-7-8-14(9-11-21)19(3)4/h12,14H,6-11H2,1-5H3
InChIKeyBQZBVLXKNWSCSM-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.81
Rot. Bonds3

About 3-[4-(dimethylamino)azepane-1-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one

3-[4-(dimethylamino)azepane-1-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one (PubChem CID 56897965) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 3-[4-(dimethylamino)azepane-1-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one.

Molecular Properties

Compound Name3-[4-(dimethylamino)azepane-1-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one
PubChem CID56897965
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name3-[4-(dimethylamino)azepane-1-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one
SMILESCCc1c(C)cc(C(=O)N2CCCC(N(C)C)CC2)c(=O)n1C
InChIInChI=1S/C18H29N3O2/c1-6-16-13(2)12-15(17(22)20(16)5)18(23)21-10-7-8-14(9-11-21)19(3)4/h12,14H,6-11H2,1-5H3
InChIKeyBQZBVLXKNWSCSM-UHFFFAOYSA-N
XLogP1.81
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Butyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 22266537
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-(dimethylamino)-1-azepanyl]carbonyl}-6,7-dihydro-5H-cyclopenta[b]pyridin-2-ol
CID 56918676
3-[(4-cyclopentyl-1,4-diazepan-1-yl)carbonyl]-1-ethyl-4,6-dimethyl-2(1H)-pyridinone
CID 70788055
1-Hexyl-4,6-dimethyl-2-oxopyridine-3-carboxamide
CID 20312192
1-Butyl-6-ethyl-5-methyl-2-oxopyridine-3-carboxamide
CID 141131988
1-(3-methylbut-2-enyl)-2-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide
CID 143221648
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
1-{3-[4-(dimethylamino)-1-azepanyl]-3-oxopropyl}-6-methyl-2(1H)-pyridinone
CID 56889027
3-{[4-(dimethylamino)-1-azepanyl]carbonyl}-1-ethyl-6-methyl-2(1H)-pyridinone
CID 56914847

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)azepane-1-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one?
The IUPAC name of 3-[4-(dimethylamino)azepane-1-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one (CID 56897965) is 3-[4-(dimethylamino)azepane-1-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one.
What is the SMILES notation for 3-[4-(dimethylamino)azepane-1-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one?
The canonical SMILES for 3-[4-(dimethylamino)azepane-1-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one is CCc1c(C)cc(C(=O)N2CCCC(N(C)C)CC2)c(=O)n1C.
What is the InChIKey of 3-[4-(dimethylamino)azepane-1-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one?
The InChIKey is BQZBVLXKNWSCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-6-16-13(2)12-15(17(22)20(16)5)18(23)21-10-7-8-14(9-11-21)19(3)4/h12,14H,6-11H2,1-5H3.
What are the key properties of 3-[4-(dimethylamino)azepane-1-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one?
3-[4-(dimethylamino)azepane-1-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one has a molecular weight of 319.45 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)azepane-1-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one is sourced from PubChem (CID 56897965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).