4-(2-pyridin-2-ylacetyl)-1,4-diazepan-2-one

C12H15N3O2 — CID 65361208

IUPAC4-(2-pyridin-2-ylacetyl)-1,4-diazepan-2-one
SMILESO=C1CN(C(=O)Cc2ccccn2)CCCN1
InChIInChI=1S/C12H15N3O2/c16-11-9-15(7-3-6-14-11)12(17)8-10-4-1-2-5-13-10/h1-2,4-5H,3,6-9H2,(H,14,16)
InChIKeyQSLBVGRWJVAIDJ-UHFFFAOYSA-N
MW233.27 g/mol
LogP-0.03
Rot. Bonds2

About 4-(2-pyridin-2-ylacetyl)-1,4-diazepan-2-one

4-(2-pyridin-2-ylacetyl)-1,4-diazepan-2-one (PubChem CID 65361208) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-(2-pyridin-2-ylacetyl)-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(2-pyridin-2-ylacetyl)-1,4-diazepan-2-one
PubChem CID65361208
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name4-(2-pyridin-2-ylacetyl)-1,4-diazepan-2-one
SMILESO=C1CN(C(=O)Cc2ccccn2)CCCN1
InChIInChI=1S/C12H15N3O2/c16-11-9-15(7-3-6-14-11)12(17)8-10-4-1-2-5-13-10/h1-2,4-5H,3,6-9H2,(H,14,16)
InChIKeyQSLBVGRWJVAIDJ-UHFFFAOYSA-N
XLogP-0.03
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-pyridin-2-ylacetyl)piperazin-2-one
CID 62850564
4-[2-(2,6-dichlorophenyl)acetyl]-1,4-diazepan-2-one
CID 62898920
4-(2-thiophen-2-ylacetyl)-1,4-diazepan-2-one
CID 62897971
1,2-dimethyl-5-(2-pyridin-2-ylacetyl)-4,6,7,8-tetrahydropyrazolo[4,3-c]azepin-3-one
CID 97471110
4-[2-(5-amino-2-pyridinyl)acetyl]piperazin-2-one
CID 107337480
1-(3-methylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 110696959
4-[2-(1,3-thiazol-4-yl)acetyl]piperazin-2-one
CID 110475971
4-(4-phenoxybutanoyl)-1,4-diazepan-2-one
CID 29257758
1-(3,4-dihydroxypyrrolidin-1-yl)-2-pyridin-2-ylethanone
CID 106671158
4-[3-(2-oxo-1-pyridinyl)propanoyl]-1,4-diazepan-2-one
CID 62898319
2-pyridin-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110696951
1-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridin-2-ylethanone
CID 112534802

Frequently Asked Questions

What is the IUPAC name of 4-(2-pyridin-2-ylacetyl)-1,4-diazepan-2-one?
The IUPAC name of 4-(2-pyridin-2-ylacetyl)-1,4-diazepan-2-one (CID 65361208) is 4-(2-pyridin-2-ylacetyl)-1,4-diazepan-2-one.
What is the SMILES notation for 4-(2-pyridin-2-ylacetyl)-1,4-diazepan-2-one?
The canonical SMILES for 4-(2-pyridin-2-ylacetyl)-1,4-diazepan-2-one is O=C1CN(C(=O)Cc2ccccn2)CCCN1.
What is the InChIKey of 4-(2-pyridin-2-ylacetyl)-1,4-diazepan-2-one?
The InChIKey is QSLBVGRWJVAIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c16-11-9-15(7-3-6-14-11)12(17)8-10-4-1-2-5-13-10/h1-2,4-5H,3,6-9H2,(H,14,16).
What are the key properties of 4-(2-pyridin-2-ylacetyl)-1,4-diazepan-2-one?
4-(2-pyridin-2-ylacetyl)-1,4-diazepan-2-one has a molecular weight of 233.27 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyridin-2-ylacetyl)-1,4-diazepan-2-one is sourced from PubChem (CID 65361208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).