4-[2-(anilinomethyl)pyrrolidin-1-yl]naphthalene-1-carbonitrile

C22H21N3 — CID 69227672

IUPAC4-[2-(anilinomethyl)pyrrolidin-1-yl]naphthalene-1-carbonitrile
SMILESN#Cc1ccc(N2CCCC2CNc2ccccc2)c2ccccc12
InChIInChI=1S/C22H21N3/c23-15-17-12-13-22(21-11-5-4-10-20(17)21)25-14-6-9-19(25)16-24-18-7-2-1-3-8-18/h1-5,7-8,10-13,19,24H,6,9,14,16H2
InChIKeyDZAOSMSBUDZSOY-UHFFFAOYSA-N
MW327.43 g/mol
LogP4.79
Rot. Bonds4

About 4-[2-(anilinomethyl)pyrrolidin-1-yl]naphthalene-1-carbonitrile

4-[2-(anilinomethyl)pyrrolidin-1-yl]naphthalene-1-carbonitrile (PubChem CID 69227672) has the molecular formula C22H21N3 and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-[2-(anilinomethyl)pyrrolidin-1-yl]naphthalene-1-carbonitrile.

Molecular Properties

Compound Name4-[2-(anilinomethyl)pyrrolidin-1-yl]naphthalene-1-carbonitrile
PubChem CID69227672
Molecular FormulaC22H21N3
Molecular Weight327.43 g/mol
Exact Mass327.17
IUPAC Name4-[2-(anilinomethyl)pyrrolidin-1-yl]naphthalene-1-carbonitrile
SMILESN#Cc1ccc(N2CCCC2CNc2ccccc2)c2ccccc12
InChIInChI=1S/C22H21N3/c23-15-17-12-13-22(21-11-5-4-10-20(17)21)25-14-6-9-19(25)16-24-18-7-2-1-3-8-18/h1-5,7-8,10-13,19,24H,6,9,14,16H2
InChIKeyDZAOSMSBUDZSOY-UHFFFAOYSA-N
XLogP4.79
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[2-(anilinomethyl)pyrrolidin-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

Frequently Asked Questions

What is the IUPAC name of 4-[2-(anilinomethyl)pyrrolidin-1-yl]naphthalene-1-carbonitrile?
The IUPAC name of 4-[2-(anilinomethyl)pyrrolidin-1-yl]naphthalene-1-carbonitrile (CID 69227672) is 4-[2-(anilinomethyl)pyrrolidin-1-yl]naphthalene-1-carbonitrile.
What is the SMILES notation for 4-[2-(anilinomethyl)pyrrolidin-1-yl]naphthalene-1-carbonitrile?
The canonical SMILES for 4-[2-(anilinomethyl)pyrrolidin-1-yl]naphthalene-1-carbonitrile is N#Cc1ccc(N2CCCC2CNc2ccccc2)c2ccccc12.
What is the InChIKey of 4-[2-(anilinomethyl)pyrrolidin-1-yl]naphthalene-1-carbonitrile?
The InChIKey is DZAOSMSBUDZSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3/c23-15-17-12-13-22(21-11-5-4-10-20(17)21)25-14-6-9-19(25)16-24-18-7-2-1-3-8-18/h1-5,7-8,10-13,19,24H,6,9,14,16H2.
What are the key properties of 4-[2-(anilinomethyl)pyrrolidin-1-yl]naphthalene-1-carbonitrile?
4-[2-(anilinomethyl)pyrrolidin-1-yl]naphthalene-1-carbonitrile has a molecular weight of 327.43 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(anilinomethyl)pyrrolidin-1-yl]naphthalene-1-carbonitrile is sourced from PubChem (CID 69227672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).