2-(pyrrolidin-3-ylamino)pyridine-4-carbonitrile;hydrochloride

C10H13ClN4 — CID 71643662

IUPAC2-(pyrrolidin-3-ylamino)pyridine-4-carbonitrile;hydrochloride
SMILESCl.N#Cc1ccnc(NC2CCNC2)c1
InChIInChI=1S/C10H12N4.ClH/c11-6-8-1-4-13-10(5-8)14-9-2-3-12-7-9;/h1,4-5,9,12H,2-3,7H2,(H,13,14);1H
InChIKeyXTWLXBQKLUATCC-UHFFFAOYSA-N
MW224.69 g/mol
LogP1.15
Rot. Bonds2

About 2-(pyrrolidin-3-ylamino)pyridine-4-carbonitrile;hydrochloride

2-(pyrrolidin-3-ylamino)pyridine-4-carbonitrile;hydrochloride (PubChem CID 71643662) has the molecular formula C10H13ClN4 and a molecular weight of 224.69 g/mol. Its IUPAC name is 2-(pyrrolidin-3-ylamino)pyridine-4-carbonitrile;hydrochloride.

Molecular Properties

Compound Name2-(pyrrolidin-3-ylamino)pyridine-4-carbonitrile;hydrochloride
PubChem CID71643662
Molecular FormulaC10H13ClN4
Molecular Weight224.69 g/mol
Exact Mass224.08
IUPAC Name2-(pyrrolidin-3-ylamino)pyridine-4-carbonitrile;hydrochloride
SMILESCl.N#Cc1ccnc(NC2CCNC2)c1
InChIInChI=1S/C10H12N4.ClH/c11-6-8-1-4-13-10(5-8)14-9-2-3-12-7-9;/h1,4-5,9,12H,2-3,7H2,(H,13,14);1H
InChIKeyXTWLXBQKLUATCC-UHFFFAOYSA-N
XLogP1.15
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(pyrrolidin-3-ylamino)pyridine-4-carbonitrile;hydrochloride 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

4-[[(3R)-pyrrolidin-3-yl]amino]pyrimidine-2-carbonitrile
CID 152510354
N-[(3R)-pyrrolidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 122441469
4-methyl-N-[(3R)-piperidin-3-yl]pyridin-2-amine;hydrochloride
CID 71638526
N-pyrrolidin-3-ylpyridin-2-amine
CID 19814840
3-[[(3R)-pyrrolidin-3-yl]amino]benzonitrile
CID 124512100
2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyridine-4-carbonitrile
CID 65472964
4-[[(3R)-pyrrolidin-3-yl]amino]benzonitrile
CID 58254788
2-pyrrolidin-3-ylsulfanylpyridine-4-carbonitrile
CID 71643728
2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-4-carbonitrile
CID 62306308
2-[[(1R,3R)-3-(dimethylamino)cyclohexyl]amino]pyridine-4-carbonitrile
CID 125142314
6-N-cyclobutyl-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine
CID 115264180
4-N-[(3S)-pyrrolidin-3-yl]pyrimidine-2,4-diamine
CID 59631600

Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidin-3-ylamino)pyridine-4-carbonitrile;hydrochloride?
The IUPAC name of 2-(pyrrolidin-3-ylamino)pyridine-4-carbonitrile;hydrochloride (CID 71643662) is 2-(pyrrolidin-3-ylamino)pyridine-4-carbonitrile;hydrochloride.
What is the SMILES notation for 2-(pyrrolidin-3-ylamino)pyridine-4-carbonitrile;hydrochloride?
The canonical SMILES for 2-(pyrrolidin-3-ylamino)pyridine-4-carbonitrile;hydrochloride is Cl.N#Cc1ccnc(NC2CCNC2)c1.
What is the InChIKey of 2-(pyrrolidin-3-ylamino)pyridine-4-carbonitrile;hydrochloride?
The InChIKey is XTWLXBQKLUATCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4.ClH/c11-6-8-1-4-13-10(5-8)14-9-2-3-12-7-9;/h1,4-5,9,12H,2-3,7H2,(H,13,14);1H.
What are the key properties of 2-(pyrrolidin-3-ylamino)pyridine-4-carbonitrile;hydrochloride?
2-(pyrrolidin-3-ylamino)pyridine-4-carbonitrile;hydrochloride has a molecular weight of 224.69 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidin-3-ylamino)pyridine-4-carbonitrile;hydrochloride is sourced from PubChem (CID 71643662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).