3-[4-(dimethylamino)azepane-1-carbonyl]-1-ethyl-6-methylpyridin-2-one

C17H27N3O2 — CID 56914847

IUPAC3-[4-(dimethylamino)azepane-1-carbonyl]-1-ethyl-6-methylpyridin-2-one
SMILESCCn1c(C)ccc(C(=O)N2CCCC(N(C)C)CC2)c1=O
InChIInChI=1S/C17H27N3O2/c1-5-20-13(2)8-9-15(17(20)22)16(21)19-11-6-7-14(10-12-19)18(3)4/h8-9,14H,5-7,10-12H2,1-4H3
InChIKeyYFSHJFYQNCNUQB-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.73
Rot. Bonds3

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

3-[4-(dimethylamino)azepane-1-carbonyl]-1-ethyl-6-methylpyridin-2-one (PubChem CID 56914847) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 3-[4-(dimethylamino)azepane-1-carbonyl]-1-ethyl-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-[4-(dimethylamino)azepane-1-carbonyl]-1-ethyl-6-methylpyridin-2-one
PubChem CID56914847
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name3-[4-(dimethylamino)azepane-1-carbonyl]-1-ethyl-6-methylpyridin-2-one
SMILESCCn1c(C)ccc(C(=O)N2CCCC(N(C)C)CC2)c1=O
InChIInChI=1S/C17H27N3O2/c1-5-20-13(2)8-9-15(17(20)22)16(21)19-11-6-7-14(10-12-19)18(3)4/h8-9,14H,5-7,10-12H2,1-4H3
InChIKeyYFSHJFYQNCNUQB-UHFFFAOYSA-N
XLogP1.73
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.73
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-cyclopentyl-N,1-dimethyl-2-oxopyridine-3-carboxamide
CID 136525314
N-(2-azepan-1-ylethyl)-1-ethyl-N-isopropyl-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 50960473
3-[(4-cyclopentyl-1,4-diazepan-1-yl)carbonyl]-1-ethyl-4,6-dimethyl-2(1H)-pyridinone
CID 70788055
Ethane;1-hexan-3-yl-2-oxopyridine-3-carboxamide
CID 143596592
4-(Azepan-1-yl)-1,6-dimethyl-2-oxopyridine-3-carbaldehyde
CID 28469395
4-(Azepan-1-yl)-1-ethyl-6-methyl-2-oxopyridine-3-carbaldehyde
CID 28469439
4-(Azepan-1-yl)-6-methyl-2-oxo-1-propylpyridine-3-carbaldehyde
CID 28469481
4-(Azepan-1-yl)-6-methyl-1-(2-methylpropyl)-2-oxopyridine-3-carbaldehyde
CID 28469523
4-(Azepan-1-yl)-1-(3-methoxypropyl)-6-methyl-2-oxopyridine-3-carbaldehyde
CID 28469589
N-(sec-butyl)-N-cycloheptyl-2-hydroxy-6-methylnicotinamide
CID 46995206
N-[(2R)-butan-2-yl]-N-cycloheptyl-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 52395692

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)azepane-1-carbonyl]-1-ethyl-6-methylpyridin-2-one?
The IUPAC name of 3-[4-(dimethylamino)azepane-1-carbonyl]-1-ethyl-6-methylpyridin-2-one (CID 56914847) is 3-[4-(dimethylamino)azepane-1-carbonyl]-1-ethyl-6-methylpyridin-2-one.
What is the SMILES notation for 3-[4-(dimethylamino)azepane-1-carbonyl]-1-ethyl-6-methylpyridin-2-one?
The canonical SMILES for 3-[4-(dimethylamino)azepane-1-carbonyl]-1-ethyl-6-methylpyridin-2-one is CCn1c(C)ccc(C(=O)N2CCCC(N(C)C)CC2)c1=O.
What is the InChIKey of 3-[4-(dimethylamino)azepane-1-carbonyl]-1-ethyl-6-methylpyridin-2-one?
The InChIKey is YFSHJFYQNCNUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-5-20-13(2)8-9-15(17(20)22)16(21)19-11-6-7-14(10-12-19)18(3)4/h8-9,14H,5-7,10-12H2,1-4H3.
What are the key properties of 3-[4-(dimethylamino)azepane-1-carbonyl]-1-ethyl-6-methylpyridin-2-one?
3-[4-(dimethylamino)azepane-1-carbonyl]-1-ethyl-6-methylpyridin-2-one has a molecular weight of 305.42 g/mol, XLogP of 1.73, 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]-1-ethyl-6-methylpyridin-2-one is sourced from PubChem (CID 56914847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).