2-[(2-amino-3-methylbutyl)amino]-3-chloropyridine-4-carbonitrile

C11H15ClN4 — CID 107061307

IUPAC2-[(2-amino-3-methylbutyl)amino]-3-chloropyridine-4-carbonitrile
SMILESCC(C)C(N)CNc1nccc(C#N)c1Cl
InChIInChI=1S/C11H15ClN4/c1-7(2)9(14)6-16-11-10(12)8(5-13)3-4-15-11/h3-4,7,9H,6,14H2,1-2H3,(H,15,16)
InChIKeyJHKKHYXTVGTDSD-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.00
Rot. Bonds4

About 2-[(2-amino-3-methylbutyl)amino]-3-chloropyridine-4-carbonitrile

2-[(2-amino-3-methylbutyl)amino]-3-chloropyridine-4-carbonitrile (PubChem CID 107061307) has the molecular formula C11H15ClN4 and a molecular weight of 238.72 g/mol. Its IUPAC name is 2-[(2-amino-3-methylbutyl)amino]-3-chloropyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[(2-amino-3-methylbutyl)amino]-3-chloropyridine-4-carbonitrile
PubChem CID107061307
Molecular FormulaC11H15ClN4
Molecular Weight238.72 g/mol
Exact Mass238.10
IUPAC Name2-[(2-amino-3-methylbutyl)amino]-3-chloropyridine-4-carbonitrile
SMILESCC(C)C(N)CNc1nccc(C#N)c1Cl
InChIInChI=1S/C11H15ClN4/c1-7(2)9(14)6-16-11-10(12)8(5-13)3-4-15-11/h3-4,7,9H,6,14H2,1-2H3,(H,15,16)
InChIKeyJHKKHYXTVGTDSD-UHFFFAOYSA-N
XLogP2.00
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2-amino-3-methylbutyl)amino]-3-chloropyridine-4-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 2-[(2-amino-3-methylbutyl)amino]-3-chloropyridine-4-carbonitrile?
The IUPAC name of 2-[(2-amino-3-methylbutyl)amino]-3-chloropyridine-4-carbonitrile (CID 107061307) is 2-[(2-amino-3-methylbutyl)amino]-3-chloropyridine-4-carbonitrile.
What is the SMILES notation for 2-[(2-amino-3-methylbutyl)amino]-3-chloropyridine-4-carbonitrile?
The canonical SMILES for 2-[(2-amino-3-methylbutyl)amino]-3-chloropyridine-4-carbonitrile is CC(C)C(N)CNc1nccc(C#N)c1Cl.
What is the InChIKey of 2-[(2-amino-3-methylbutyl)amino]-3-chloropyridine-4-carbonitrile?
The InChIKey is JHKKHYXTVGTDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4/c1-7(2)9(14)6-16-11-10(12)8(5-13)3-4-15-11/h3-4,7,9H,6,14H2,1-2H3,(H,15,16).
What are the key properties of 2-[(2-amino-3-methylbutyl)amino]-3-chloropyridine-4-carbonitrile?
2-[(2-amino-3-methylbutyl)amino]-3-chloropyridine-4-carbonitrile has a molecular weight of 238.72 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-3-methylbutyl)amino]-3-chloropyridine-4-carbonitrile is sourced from PubChem (CID 107061307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).