4-(4-methyl-1,4-diazepane-1-carbonyl)-1H-pyridin-2-one

C12H17N3O2 — CID 103763244

IUPAC4-(4-methyl-1,4-diazepane-1-carbonyl)-1H-pyridin-2-one
SMILESCN1CCCN(C(=O)c2cc[nH]c(=O)c2)CC1
InChIInChI=1S/C12H17N3O2/c1-14-5-2-6-15(8-7-14)12(17)10-3-4-13-11(16)9-10/h3-4,9H,2,5-8H2,1H3,(H,13,16)
InChIKeyDBTDZRNTAYLFJK-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.15
Rot. Bonds1

About 4-(4-methyl-1,4-diazepane-1-carbonyl)-1H-pyridin-2-one

4-(4-methyl-1,4-diazepane-1-carbonyl)-1H-pyridin-2-one (PubChem CID 103763244) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-(4-methyl-1,4-diazepane-1-carbonyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(4-methyl-1,4-diazepane-1-carbonyl)-1H-pyridin-2-one
PubChem CID103763244
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name4-(4-methyl-1,4-diazepane-1-carbonyl)-1H-pyridin-2-one
SMILESCN1CCCN(C(=O)c2cc[nH]c(=O)c2)CC1
InChIInChI=1S/C12H17N3O2/c1-14-5-2-6-15(8-7-14)12(17)10-3-4-13-11(16)9-10/h3-4,9H,2,5-8H2,1H3,(H,13,16)
InChIKeyDBTDZRNTAYLFJK-UHFFFAOYSA-N
XLogP0.15
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-(2-oxo-1H-pyridine-4-carbonyl)piperazine-1-carboxamide
CID 103762745
4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 103763407
4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 103762912
4-(4-ethylazepane-1-carbonyl)-1H-pyridin-2-one
CID 103765578
(3,4-dihydroxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 103956223
1-(2-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylic acid
CID 113264935
(3,4-dichlorophenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 17163669
4-(4-benzylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 110600792
methyl 1-(2-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylate
CID 103762652
(4-iodophenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 60628706
4-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-1H-pyridin-2-one
CID 103766238
methyl 3-(4-methyl-1,4-diazepane-1-carbonyl)benzoate
CID 78884953

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-1,4-diazepane-1-carbonyl)-1H-pyridin-2-one?
The IUPAC name of 4-(4-methyl-1,4-diazepane-1-carbonyl)-1H-pyridin-2-one (CID 103763244) is 4-(4-methyl-1,4-diazepane-1-carbonyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(4-methyl-1,4-diazepane-1-carbonyl)-1H-pyridin-2-one?
The canonical SMILES for 4-(4-methyl-1,4-diazepane-1-carbonyl)-1H-pyridin-2-one is CN1CCCN(C(=O)c2cc[nH]c(=O)c2)CC1.
What is the InChIKey of 4-(4-methyl-1,4-diazepane-1-carbonyl)-1H-pyridin-2-one?
The InChIKey is DBTDZRNTAYLFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-14-5-2-6-15(8-7-14)12(17)10-3-4-13-11(16)9-10/h3-4,9H,2,5-8H2,1H3,(H,13,16).
What are the key properties of 4-(4-methyl-1,4-diazepane-1-carbonyl)-1H-pyridin-2-one?
4-(4-methyl-1,4-diazepane-1-carbonyl)-1H-pyridin-2-one has a molecular weight of 235.29 g/mol, XLogP of 0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1,4-diazepane-1-carbonyl)-1H-pyridin-2-one is sourced from PubChem (CID 103763244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).