[2-(benzhydrylideneamino)-3-pyridinyl]-cyclopropylmethanone

C22H18N2O — CID 165406060

IUPAC[2-(benzhydrylideneamino)-3-pyridinyl]-cyclopropylmethanone
SMILESO=C(c1cccnc1N=C(c1ccccc1)c1ccccc1)C1CC1
InChIInChI=1S/C22H18N2O/c25-21(18-13-14-18)19-12-7-15-23-22(19)24-20(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-12,15,18H,13-14H2
InChIKeyJSBQTYACZBXCEU-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.84
Rot. Bonds5

About [2-(benzhydrylideneamino)-3-pyridinyl]-cyclopropylmethanone

[2-(benzhydrylideneamino)-3-pyridinyl]-cyclopropylmethanone (PubChem CID 165406060) has the molecular formula C22H18N2O and a molecular weight of 326.40 g/mol. Its IUPAC name is [2-(benzhydrylideneamino)-3-pyridinyl]-cyclopropylmethanone.

Molecular Properties

Compound Name[2-(benzhydrylideneamino)-3-pyridinyl]-cyclopropylmethanone
PubChem CID165406060
Molecular FormulaC22H18N2O
Molecular Weight326.40 g/mol
Exact Mass326.14
IUPAC Name[2-(benzhydrylideneamino)-3-pyridinyl]-cyclopropylmethanone
SMILESO=C(c1cccnc1N=C(c1ccccc1)c1ccccc1)C1CC1
InChIInChI=1S/C22H18N2O/c25-21(18-13-14-18)19-12-7-15-23-22(19)24-20(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-12,15,18H,13-14H2
InChIKeyJSBQTYACZBXCEU-UHFFFAOYSA-N
XLogP4.84
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze [2-(benzhydrylideneamino)-3-pyridinyl]-cyclopropylmethanone 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

cyclopropyl-(2-hydroxyphenyl)methanone
CID 14638095
(4-benzoylcyclohexyl)-phenylmethanone
CID 24722598
cycloheptyl-(2-fluoro-3-pyridinyl)methanone
CID 69292771
3-(cyclohexanecarbonyl)pyridine-2-carboxylic acid
CID 23364091
2-(4-benzoylpiperidine-1-carbonyl)pyridine-3-carboxylic acid
CID 122106252
2-[C-phenyl-N-[3-[[phenyl-(2-sulfanylphenyl)methylidene]amino]pyrazin-2-yl]carbonimidoyl]benzenethiol
CID 135961595
4-(pyridine-2-carbonyl)cyclohexane-1-carboxylic acid
CID 116918674
cyclopentyl(quinolin-8-yl)methanone
CID 81220027
cyclopropyl-(2-fluorophenyl)methanone
CID 22750154
N-[2-(cyclopropanecarbonyl)phenyl]acetamide
CID 102044050
(4-ethylcyclohexyl)-quinolin-8-ylmethanone
CID 81221024
cyclopropyl-(2-propan-2-ylphenyl)methanone
CID 53437883

Frequently Asked Questions

What is the IUPAC name of [2-(benzhydrylideneamino)-3-pyridinyl]-cyclopropylmethanone?
The IUPAC name of [2-(benzhydrylideneamino)-3-pyridinyl]-cyclopropylmethanone (CID 165406060) is [2-(benzhydrylideneamino)-3-pyridinyl]-cyclopropylmethanone.
What is the SMILES notation for [2-(benzhydrylideneamino)-3-pyridinyl]-cyclopropylmethanone?
The canonical SMILES for [2-(benzhydrylideneamino)-3-pyridinyl]-cyclopropylmethanone is O=C(c1cccnc1N=C(c1ccccc1)c1ccccc1)C1CC1.
What is the InChIKey of [2-(benzhydrylideneamino)-3-pyridinyl]-cyclopropylmethanone?
The InChIKey is JSBQTYACZBXCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O/c25-21(18-13-14-18)19-12-7-15-23-22(19)24-20(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-12,15,18H,13-14H2.
What are the key properties of [2-(benzhydrylideneamino)-3-pyridinyl]-cyclopropylmethanone?
[2-(benzhydrylideneamino)-3-pyridinyl]-cyclopropylmethanone has a molecular weight of 326.40 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzhydrylideneamino)-3-pyridinyl]-cyclopropylmethanone is sourced from PubChem (CID 165406060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).