1-methyl-5-[(4S)-4-methylazepane-1-carbonyl]pyridin-2-one

C14H20N2O2 — CID 95591235

IUPAC1-methyl-5-[(4S)-4-methylazepane-1-carbonyl]pyridin-2-one
SMILESC[C@H]1CCCN(C(=O)c2ccc(=O)n(C)c2)CC1
InChIInChI=1S/C14H20N2O2/c1-11-4-3-8-16(9-7-11)14(18)12-5-6-13(17)15(2)10-12/h5-6,10-11H,3-4,7-9H2,1-2H3/t11-/m0/s1
InChIKeyOZZOVUAODYIYOV-NSHDSACASA-N
MW248.33 g/mol
LogP1.65
Rot. Bonds1

About 1-methyl-5-[(4S)-4-methylazepane-1-carbonyl]pyridin-2-one

1-methyl-5-[(4S)-4-methylazepane-1-carbonyl]pyridin-2-one (PubChem CID 95591235) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-methyl-5-[(4S)-4-methylazepane-1-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-[(4S)-4-methylazepane-1-carbonyl]pyridin-2-one
PubChem CID95591235
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-methyl-5-[(4S)-4-methylazepane-1-carbonyl]pyridin-2-one
SMILESC[C@H]1CCCN(C(=O)c2ccc(=O)n(C)c2)CC1
InChIInChI=1S/C14H20N2O2/c1-11-4-3-8-16(9-7-11)14(18)12-5-6-13(17)15(2)10-12/h5-6,10-11H,3-4,7-9H2,1-2H3/t11-/m0/s1
InChIKeyOZZOVUAODYIYOV-NSHDSACASA-N
XLogP1.65
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-methylpiperidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109044208
1-methyl-5-[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidine-1-carbonyl]pyridin-2-one
CID 95873949
1-methyl-5-[4-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]pyridin-2-one
CID 127339699
3-[(3S)-1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-3-yl]propanoic acid
CID 124697707
[4-(chloromethyl)phenyl]-(4-methylazepan-1-yl)methanone
CID 63622830
(4-methylazepan-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 84581680
N'-hydroxy-4-(4-methylazepane-1-carbonyl)benzenecarboximidamide
CID 77002526
N-cyclopropyl-1-[1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56867464
5-[(4aS,8R,8aR)-8-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-1-methylpyridin-2-one
CID 95139212
1-methyl-5-[(3S)-3-[(4-methylphenyl)methyl]piperidine-1-carbonyl]pyridin-2-one
CID 95289755
1-methyl-5-(4-methylsulfonylpiperazine-1-carbonyl)pyridin-2-one
CID 75461426
(6-chloro-3-pyridinyl)-(4-methylazepan-1-yl)methanone
CID 55209897

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(4S)-4-methylazepane-1-carbonyl]pyridin-2-one?
The IUPAC name of 1-methyl-5-[(4S)-4-methylazepane-1-carbonyl]pyridin-2-one (CID 95591235) is 1-methyl-5-[(4S)-4-methylazepane-1-carbonyl]pyridin-2-one.
What is the SMILES notation for 1-methyl-5-[(4S)-4-methylazepane-1-carbonyl]pyridin-2-one?
The canonical SMILES for 1-methyl-5-[(4S)-4-methylazepane-1-carbonyl]pyridin-2-one is C[C@H]1CCCN(C(=O)c2ccc(=O)n(C)c2)CC1.
What is the InChIKey of 1-methyl-5-[(4S)-4-methylazepane-1-carbonyl]pyridin-2-one?
The InChIKey is OZZOVUAODYIYOV-NSHDSACASA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11-4-3-8-16(9-7-11)14(18)12-5-6-13(17)15(2)10-12/h5-6,10-11H,3-4,7-9H2,1-2H3/t11-/m0/s1.
What are the key properties of 1-methyl-5-[(4S)-4-methylazepane-1-carbonyl]pyridin-2-one?
1-methyl-5-[(4S)-4-methylazepane-1-carbonyl]pyridin-2-one has a molecular weight of 248.33 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(4S)-4-methylazepane-1-carbonyl]pyridin-2-one is sourced from PubChem (CID 95591235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).