N-(3-methylpyrrolidin-3-yl)cinnolin-4-amine

C13H16N4 — CID 107425729

IUPACN-(3-methylpyrrolidin-3-yl)cinnolin-4-amine
SMILESCC1(Nc2cnnc3ccccc23)CCNC1
InChIInChI=1S/C13H16N4/c1-13(6-7-14-9-13)16-12-8-15-17-11-5-3-2-4-10(11)12/h2-5,8,14H,6-7,9H2,1H3,(H,16,17)
InChIKeyQJFDXLTUHHFICW-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.79
Rot. Bonds2

About N-(3-methylpyrrolidin-3-yl)cinnolin-4-amine

N-(3-methylpyrrolidin-3-yl)cinnolin-4-amine (PubChem CID 107425729) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is N-(3-methylpyrrolidin-3-yl)cinnolin-4-amine.

Molecular Properties

Compound NameN-(3-methylpyrrolidin-3-yl)cinnolin-4-amine
PubChem CID107425729
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC NameN-(3-methylpyrrolidin-3-yl)cinnolin-4-amine
SMILESCC1(Nc2cnnc3ccccc23)CCNC1
InChIInChI=1S/C13H16N4/c1-13(6-7-14-9-13)16-12-8-15-17-11-5-3-2-4-10(11)12/h2-5,8,14H,6-7,9H2,1H3,(H,16,17)
InChIKeyQJFDXLTUHHFICW-UHFFFAOYSA-N
XLogP1.79
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-methylpyrrolidin-3-yl)cinnolin-4-amine 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 N-(3-methylpyrrolidin-3-yl)cinnolin-4-amine?
The IUPAC name of N-(3-methylpyrrolidin-3-yl)cinnolin-4-amine (CID 107425729) is N-(3-methylpyrrolidin-3-yl)cinnolin-4-amine.
What is the SMILES notation for N-(3-methylpyrrolidin-3-yl)cinnolin-4-amine?
The canonical SMILES for N-(3-methylpyrrolidin-3-yl)cinnolin-4-amine is CC1(Nc2cnnc3ccccc23)CCNC1.
What is the InChIKey of N-(3-methylpyrrolidin-3-yl)cinnolin-4-amine?
The InChIKey is QJFDXLTUHHFICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-13(6-7-14-9-13)16-12-8-15-17-11-5-3-2-4-10(11)12/h2-5,8,14H,6-7,9H2,1H3,(H,16,17).
What are the key properties of N-(3-methylpyrrolidin-3-yl)cinnolin-4-amine?
N-(3-methylpyrrolidin-3-yl)cinnolin-4-amine has a molecular weight of 228.30 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpyrrolidin-3-yl)cinnolin-4-amine is sourced from PubChem (CID 107425729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).