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

C13H17N3O3 — CID 102847836

IUPAC1-methyl-4-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-2-one
SMILESCc1cc(=O)c(C(=O)N2CCCN(C)C(=O)C2)c[nH]1
InChIInChI=1S/C13H17N3O3/c1-9-6-11(17)10(7-14-9)13(19)16-5-3-4-15(2)12(18)8-16/h6-7H,3-5,8H2,1-2H3,(H,14,17)
InChIKeyUIGDMLDTKFCATC-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.01
Rot. Bonds1

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

1-methyl-4-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-2-one (PubChem CID 102847836) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-methyl-4-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-2-one.

Molecular Properties

Compound Name1-methyl-4-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-2-one
PubChem CID102847836
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name1-methyl-4-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-2-one
SMILESCc1cc(=O)c(C(=O)N2CCCN(C)C(=O)C2)c[nH]1
InChIInChI=1S/C13H17N3O3/c1-9-6-11(17)10(7-14-9)13(19)16-5-3-4-15(2)12(18)8-16/h6-7H,3-5,8H2,1-2H3,(H,14,17)
InChIKeyUIGDMLDTKFCATC-UHFFFAOYSA-N
XLogP-0.01
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1H-pyridin-4-one
CID 114172667
2-[4-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 103717962
5-(3-hydroxy-3-methylpiperidine-1-carbonyl)-2-methyl-1H-pyridin-4-one
CID 103878843
4-(2-amino-5-methylbenzoyl)-1-methyl-1,4-diazepan-2-one
CID 102888140
4-(5-fluoro-2-hydroxybenzoyl)-1-methyl-1,4-diazepan-2-one
CID 102889204
5-(1,3-dihydroisoindole-2-carbonyl)-2-methyl-1H-pyridin-4-one
CID 103717991
5-(7-methoxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)-2-methyl-1H-pyridin-4-one
CID 71925487
1-methyl-4-[2-methyl-4-(methylamino)benzoyl]-1,4-diazepan-2-one
CID 102892314
4-(4-hydrazinyl-2-methylbenzoyl)-1-methyl-1,4-diazepan-2-one
CID 102892693
2-[1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]acetic acid
CID 103804158
methyl (3S)-1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylate
CID 103717921
5-(2,6-dimethylmorpholine-4-carbonyl)-2-methyl-1H-pyridin-4-one
CID 103696163

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-2-one?
The IUPAC name of 1-methyl-4-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-2-one (CID 102847836) is 1-methyl-4-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-2-one.
What is the SMILES notation for 1-methyl-4-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-2-one?
The canonical SMILES for 1-methyl-4-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-2-one is Cc1cc(=O)c(C(=O)N2CCCN(C)C(=O)C2)c[nH]1.
What is the InChIKey of 1-methyl-4-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-2-one?
The InChIKey is UIGDMLDTKFCATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-9-6-11(17)10(7-14-9)13(19)16-5-3-4-15(2)12(18)8-16/h6-7H,3-5,8H2,1-2H3,(H,14,17).
What are the key properties of 1-methyl-4-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-2-one?
1-methyl-4-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-2-one has a molecular weight of 263.30 g/mol, XLogP of -0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-2-one is sourced from PubChem (CID 102847836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).