3-[(1-benzylpyrrolidin-3-yl)amino]pyridine-2-carbonitrile

C17H18N4 — CID 130167064

IUPAC3-[(1-benzylpyrrolidin-3-yl)amino]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1NC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C17H18N4/c18-11-17-16(7-4-9-19-17)20-15-8-10-21(13-15)12-14-5-2-1-3-6-14/h1-7,9,15,20H,8,10,12-13H2
InChIKeyKIOLRWVMYHSDIL-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.64
Rot. Bonds4

About 3-[(1-benzylpyrrolidin-3-yl)amino]pyridine-2-carbonitrile

3-[(1-benzylpyrrolidin-3-yl)amino]pyridine-2-carbonitrile (PubChem CID 130167064) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-[(1-benzylpyrrolidin-3-yl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[(1-benzylpyrrolidin-3-yl)amino]pyridine-2-carbonitrile
PubChem CID130167064
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name3-[(1-benzylpyrrolidin-3-yl)amino]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1NC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C17H18N4/c18-11-17-16(7-4-9-19-17)20-15-8-10-21(13-15)12-14-5-2-1-3-6-14/h1-7,9,15,20H,8,10,12-13H2
InChIKeyKIOLRWVMYHSDIL-UHFFFAOYSA-N
XLogP2.64
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(1-benzylpyrrolidin-3-yl)amino]pyridine-2-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

N-(1-benzylpiperidin-3-yl)-2-methylpyridin-3-amine
CID 79042917
N-(1-benzylpyrrolidin-3-yl)-3-methylpyridin-2-amine
CID 130165925
6-[(1-benzylpyrrolidin-3-yl)amino]pyridine-3-carbonitrile
CID 18133059
1-benzyl-N-(2,6-dichlorophenyl)pyrrolidin-3-amine
CID 65469717
N-[(3R)-1-benzylpyrrolidin-3-yl]-5-ethylpyrimidin-2-amine
CID 97203878
1-benzyl-N-(4-bromonaphthalen-1-yl)pyrrolidin-3-amine
CID 113384475
1-benzyl-N-(2-chloro-4-fluorophenyl)pyrrolidin-3-amine
CID 43150727
1-N-(1-benzylpyrrolidin-3-yl)-2-bromobenzene-1,4-diamine
CID 130558138
1-benzyl-N-(1H-imidazol-2-yl)piperidin-3-amine
CID 106575517
N-(1-benzylpiperidin-3-yl)-3-bromopyridin-4-amine
CID 104777098
3-[(1-benzylpiperidin-4-yl)amino]-4-fluorobenzonitrile
CID 21015031
4-(azepan-1-yl)-N-[(3R)-1-benzylpyrrolidin-3-yl]pyrimidin-2-amine
CID 66903517

Frequently Asked Questions

What is the IUPAC name of 3-[(1-benzylpyrrolidin-3-yl)amino]pyridine-2-carbonitrile?
The IUPAC name of 3-[(1-benzylpyrrolidin-3-yl)amino]pyridine-2-carbonitrile (CID 130167064) is 3-[(1-benzylpyrrolidin-3-yl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[(1-benzylpyrrolidin-3-yl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 3-[(1-benzylpyrrolidin-3-yl)amino]pyridine-2-carbonitrile is N#Cc1ncccc1NC1CCN(Cc2ccccc2)C1.
What is the InChIKey of 3-[(1-benzylpyrrolidin-3-yl)amino]pyridine-2-carbonitrile?
The InChIKey is KIOLRWVMYHSDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c18-11-17-16(7-4-9-19-17)20-15-8-10-21(13-15)12-14-5-2-1-3-6-14/h1-7,9,15,20H,8,10,12-13H2.
What are the key properties of 3-[(1-benzylpyrrolidin-3-yl)amino]pyridine-2-carbonitrile?
3-[(1-benzylpyrrolidin-3-yl)amino]pyridine-2-carbonitrile has a molecular weight of 278.36 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-benzylpyrrolidin-3-yl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 130167064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).