1-benzyl-6-[(2-pyridin-3-ylphenyl)methyl]-1,4-diazepan-5-one

C24H25N3O — CID 110230103

IUPAC1-benzyl-6-[(2-pyridin-3-ylphenyl)methyl]-1,4-diazepan-5-one
SMILESO=C1NCCN(Cc2ccccc2)CC1Cc1ccccc1-c1cccnc1
InChIInChI=1S/C24H25N3O/c28-24-22(18-27(14-13-26-24)17-19-7-2-1-3-8-19)15-20-9-4-5-11-23(20)21-10-6-12-25-16-21/h1-12,16,22H,13-15,17-18H2,(H,26,28)
InChIKeyAXYJSKFNALUBRJ-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.54
Rot. Bonds5

About 1-benzyl-6-[(2-pyridin-3-ylphenyl)methyl]-1,4-diazepan-5-one

1-benzyl-6-[(2-pyridin-3-ylphenyl)methyl]-1,4-diazepan-5-one (PubChem CID 110230103) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is 1-benzyl-6-[(2-pyridin-3-ylphenyl)methyl]-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-benzyl-6-[(2-pyridin-3-ylphenyl)methyl]-1,4-diazepan-5-one
PubChem CID110230103
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC Name1-benzyl-6-[(2-pyridin-3-ylphenyl)methyl]-1,4-diazepan-5-one
SMILESO=C1NCCN(Cc2ccccc2)CC1Cc1ccccc1-c1cccnc1
InChIInChI=1S/C24H25N3O/c28-24-22(18-27(14-13-26-24)17-19-7-2-1-3-8-19)15-20-9-4-5-11-23(20)21-10-6-12-25-16-21/h1-12,16,22H,13-15,17-18H2,(H,26,28)
InChIKeyAXYJSKFNALUBRJ-UHFFFAOYSA-N
XLogP3.54
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-6-[(2-pyridin-3-ylphenyl)methyl]-1,4-diazepan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3,5-dimethoxyphenyl)methyl]-6-[(2-pyridin-3-ylphenyl)methyl]-1,4-diazepan-5-one
CID 110230115
1-[(4-fluorophenyl)methyl]-4-methyl-6-[(2-pyridin-3-ylphenyl)methyl]-1,4-diazepan-5-one
CID 110230121
(6S)-4-ethyl-1-(pyridin-3-ylmethyl)-6-[(2-pyridin-3-ylphenyl)methyl]-1,4-diazepan-5-one
CID 92591666
(6S)-4-ethyl-1-[(4-hydroxyphenyl)methyl]-6-[(2-pyridin-3-ylphenyl)methyl]-1,4-diazepan-5-one
CID 124989319
(6S)-4-propyl-1-(pyridin-4-ylmethyl)-6-[(2-pyridin-3-ylphenyl)methyl]-1,4-diazepan-5-one
CID 92587255
1-[(3-fluorophenyl)methyl]-4-methyl-6-[(2-pyridin-3-ylphenyl)methyl]-1,4-diazepan-5-one
CID 110230128
(6R)-4-ethyl-1-[(4-methoxyphenyl)methyl]-6-[(2-pyridin-3-ylphenyl)methyl]-1,4-diazepan-5-one
CID 92591655
(6S)-4-ethyl-1-[(2-ethylpyrimidin-5-yl)methyl]-6-[(2-pyridin-3-ylphenyl)methyl]-1,4-diazepan-5-one
CID 92589382
(6S)-1-[2-(4-fluorophenyl)acetyl]-6-[(2-phenylphenyl)methyl]-1,4-diazepan-5-one
CID 92575801
(6S)-4-propyl-1-(pyridin-3-ylmethyl)-6-[(2-pyridin-4-ylphenyl)methyl]-1,4-diazepan-5-one
CID 92587281
(6S)-4-ethyl-1-(pyridin-2-ylmethyl)-6-[(2-pyridin-3-ylphenyl)methyl]-1,4-diazepan-5-one
CID 92591664
(6R)-4-ethyl-1-(1H-indol-3-ylmethyl)-6-[(2-pyridin-3-ylphenyl)methyl]-1,4-diazepan-5-one
CID 124985268

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-[(2-pyridin-3-ylphenyl)methyl]-1,4-diazepan-5-one?
The IUPAC name of 1-benzyl-6-[(2-pyridin-3-ylphenyl)methyl]-1,4-diazepan-5-one (CID 110230103) is 1-benzyl-6-[(2-pyridin-3-ylphenyl)methyl]-1,4-diazepan-5-one.
What is the SMILES notation for 1-benzyl-6-[(2-pyridin-3-ylphenyl)methyl]-1,4-diazepan-5-one?
The canonical SMILES for 1-benzyl-6-[(2-pyridin-3-ylphenyl)methyl]-1,4-diazepan-5-one is O=C1NCCN(Cc2ccccc2)CC1Cc1ccccc1-c1cccnc1.
What is the InChIKey of 1-benzyl-6-[(2-pyridin-3-ylphenyl)methyl]-1,4-diazepan-5-one?
The InChIKey is AXYJSKFNALUBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O/c28-24-22(18-27(14-13-26-24)17-19-7-2-1-3-8-19)15-20-9-4-5-11-23(20)21-10-6-12-25-16-21/h1-12,16,22H,13-15,17-18H2,(H,26,28).
What are the key properties of 1-benzyl-6-[(2-pyridin-3-ylphenyl)methyl]-1,4-diazepan-5-one?
1-benzyl-6-[(2-pyridin-3-ylphenyl)methyl]-1,4-diazepan-5-one has a molecular weight of 371.48 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-[(2-pyridin-3-ylphenyl)methyl]-1,4-diazepan-5-one is sourced from PubChem (CID 110230103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).