4-[2-[2-(2-fluoro-3-methylphenyl)acetyl]diazinan-1-yl]naphthalene-1-carbonitrile

C24H22FN3O — CID 143284425

IUPAC4-[2-[2-(2-fluoro-3-methylphenyl)acetyl]diazinan-1-yl]naphthalene-1-carbonitrile
SMILESCc1cccc(CC(=O)N2CCCCN2c2ccc(C#N)c3ccccc23)c1F
InChIInChI=1S/C24H22FN3O/c1-17-7-6-8-18(24(17)25)15-23(29)28-14-5-4-13-27(28)22-12-11-19(16-26)20-9-2-3-10-21(20)22/h2-3,6-12H,4-5,13-15H2,1H3
InChIKeyGLBVHZBFYQCZHV-UHFFFAOYSA-N
MW387.46 g/mol
LogP4.75
Rot. Bonds3

About 4-[2-[2-(2-fluoro-3-methylphenyl)acetyl]diazinan-1-yl]naphthalene-1-carbonitrile

4-[2-[2-(2-fluoro-3-methylphenyl)acetyl]diazinan-1-yl]naphthalene-1-carbonitrile (PubChem CID 143284425) has the molecular formula C24H22FN3O and a molecular weight of 387.46 g/mol. Its IUPAC name is 4-[2-[2-(2-fluoro-3-methylphenyl)acetyl]diazinan-1-yl]naphthalene-1-carbonitrile.

Molecular Properties

Compound Name4-[2-[2-(2-fluoro-3-methylphenyl)acetyl]diazinan-1-yl]naphthalene-1-carbonitrile
PubChem CID143284425
Molecular FormulaC24H22FN3O
Molecular Weight387.46 g/mol
Exact Mass387.17
IUPAC Name4-[2-[2-(2-fluoro-3-methylphenyl)acetyl]diazinan-1-yl]naphthalene-1-carbonitrile
SMILESCc1cccc(CC(=O)N2CCCCN2c2ccc(C#N)c3ccccc23)c1F
InChIInChI=1S/C24H22FN3O/c1-17-7-6-8-18(24(17)25)15-23(29)28-14-5-4-13-27(28)22-12-11-19(16-26)20-9-2-3-10-21(20)22/h2-3,6-12H,4-5,13-15H2,1H3
InChIKeyGLBVHZBFYQCZHV-UHFFFAOYSA-N
XLogP4.75
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[2-[2-(2-fluoro-3-methylphenyl)acetyl]diazinan-1-yl]naphthalene-1-carbonitrile 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

2-[2-(1,1-difluoroethyl)phenyl]-1-[2-(4-nitronaphthalen-1-yl)diazinan-1-yl]ethanone
CID 143284473
4-[2-[(5-methyl-1H-imidazol-4-yl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile
CID 11716955
4-[2-(cyclohexylmethyl)diazinan-1-yl]naphthalene-1-carbonitrile
CID 11559047
4-[2-[[3-(1,1-difluoroethyl)phenyl]methyl]diazepan-1-yl]naphthalene-1-carbonitrile
CID 143284394
4-[2-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile
CID 11552230
4-[2-[(4-methoxyphenyl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile
CID 11559501
4-[2-(pyridin-2-ylmethyl)diazinan-1-yl]naphthalene-1-carbonitrile
CID 11529980
4-[2-[(3-bromo-4-pyridinyl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile
CID 11661437
1-(4-cyanonaphthalen-1-yl)piperidine-4-carboxamide
CID 11514656
2-[1-(4-cyanonaphthalen-1-yl)piperidin-4-yl]acetic acid
CID 68711598
ethyl 2-(3-cyano-2-fluorophenyl)acetate
CID 134652102
ethyl 2-(4-cyanonaphthalen-1-yl)acetate
CID 72942952

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2-fluoro-3-methylphenyl)acetyl]diazinan-1-yl]naphthalene-1-carbonitrile?
The IUPAC name of 4-[2-[2-(2-fluoro-3-methylphenyl)acetyl]diazinan-1-yl]naphthalene-1-carbonitrile (CID 143284425) is 4-[2-[2-(2-fluoro-3-methylphenyl)acetyl]diazinan-1-yl]naphthalene-1-carbonitrile.
What is the SMILES notation for 4-[2-[2-(2-fluoro-3-methylphenyl)acetyl]diazinan-1-yl]naphthalene-1-carbonitrile?
The canonical SMILES for 4-[2-[2-(2-fluoro-3-methylphenyl)acetyl]diazinan-1-yl]naphthalene-1-carbonitrile is Cc1cccc(CC(=O)N2CCCCN2c2ccc(C#N)c3ccccc23)c1F.
What is the InChIKey of 4-[2-[2-(2-fluoro-3-methylphenyl)acetyl]diazinan-1-yl]naphthalene-1-carbonitrile?
The InChIKey is GLBVHZBFYQCZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O/c1-17-7-6-8-18(24(17)25)15-23(29)28-14-5-4-13-27(28)22-12-11-19(16-26)20-9-2-3-10-21(20)22/h2-3,6-12H,4-5,13-15H2,1H3.
What are the key properties of 4-[2-[2-(2-fluoro-3-methylphenyl)acetyl]diazinan-1-yl]naphthalene-1-carbonitrile?
4-[2-[2-(2-fluoro-3-methylphenyl)acetyl]diazinan-1-yl]naphthalene-1-carbonitrile has a molecular weight of 387.46 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2-fluoro-3-methylphenyl)acetyl]diazinan-1-yl]naphthalene-1-carbonitrile is sourced from PubChem (CID 143284425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).