4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-2-one

C12H15N3O3 — CID 113230147

IUPAC4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-2-one
SMILESCc1ccc(C(=O)N2CCCNC(=O)C2)c(=O)[nH]1
InChIInChI=1S/C12H15N3O3/c1-8-3-4-9(11(17)14-8)12(18)15-6-2-5-13-10(16)7-15/h3-4H,2,5-7H2,1H3,(H,13,16)(H,14,17)
InChIKeySWOHTEOQBHPUSP-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.35
Rot. Bonds1

About 4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-2-one

4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-2-one (PubChem CID 113230147) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-2-one
PubChem CID113230147
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-2-one
SMILESCc1ccc(C(=O)N2CCCNC(=O)C2)c(=O)[nH]1
InChIInChI=1S/C12H15N3O3/c1-8-3-4-9(11(17)14-8)12(18)15-6-2-5-13-10(16)7-15/h3-4H,2,5-7H2,1H3,(H,13,16)(H,14,17)
InChIKeySWOHTEOQBHPUSP-UHFFFAOYSA-N
XLogP-0.35
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 55867890
4-(2,6-dimethylbenzoyl)-1,4-diazepan-2-one
CID 113258340
3-(4-hydroxy-4-methylpiperidine-1-carbonyl)-6-methyl-1H-pyridin-2-one
CID 115696691
4-(2,6-dichloropyridine-3-carbonyl)-1,4-diazepan-2-one
CID 106994002
4-(3,4-dimethylbenzoyl)-1,4-diazepan-2-one
CID 62896266
6-methyl-3-(1,2,3,4-tetrahydro-1,5-benzodiazepine-5-carbonyl)-1H-pyridin-2-one
CID 104772907
3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 95976185
4-(2,5-dibromobenzoyl)-1,4-diazepan-2-one
CID 114372478
3-(3-aminopiperidine-1-carbonyl)-6-methyl-1H-pyridin-2-one;hydrochloride
CID 119381683
4-(2-amino-4-chlorobenzoyl)-1,4-diazepan-2-one
CID 65360971
4-(4-chloro-2-methoxybenzoyl)-1,4-diazepan-2-one
CID 62898123
4-(2,4,6-trimethylbenzoyl)-1,4-diazepan-2-one
CID 65361106

Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-2-one?
The IUPAC name of 4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-2-one (CID 113230147) is 4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-2-one.
What is the SMILES notation for 4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-2-one?
The canonical SMILES for 4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-2-one is Cc1ccc(C(=O)N2CCCNC(=O)C2)c(=O)[nH]1.
What is the InChIKey of 4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-2-one?
The InChIKey is SWOHTEOQBHPUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-8-3-4-9(11(17)14-8)12(18)15-6-2-5-13-10(16)7-15/h3-4H,2,5-7H2,1H3,(H,13,16)(H,14,17).
What are the key properties of 4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-2-one?
4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-2-one has a molecular weight of 249.27 g/mol, XLogP of -0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-2-one is sourced from PubChem (CID 113230147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).