3-[(4-amino-2-pyridinyl)methyl-propan-2-ylamino]propanenitrile

C12H18N4 — CID 79245797

IUPAC3-[(4-amino-2-pyridinyl)methyl-propan-2-ylamino]propanenitrile
SMILESCC(C)N(CCC#N)Cc1cc(N)ccn1
InChIInChI=1S/C12H18N4/c1-10(2)16(7-3-5-13)9-12-8-11(14)4-6-15-12/h4,6,8,10H,3,7,9H2,1-2H3,(H2,14,15)
InChIKeyGCWPEXUOWSKBTK-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.79
Rot. Bonds5

About 3-[(4-amino-2-pyridinyl)methyl-propan-2-ylamino]propanenitrile

3-[(4-amino-2-pyridinyl)methyl-propan-2-ylamino]propanenitrile (PubChem CID 79245797) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-[(4-amino-2-pyridinyl)methyl-propan-2-ylamino]propanenitrile.

Molecular Properties

Compound Name3-[(4-amino-2-pyridinyl)methyl-propan-2-ylamino]propanenitrile
PubChem CID79245797
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name3-[(4-amino-2-pyridinyl)methyl-propan-2-ylamino]propanenitrile
SMILESCC(C)N(CCC#N)Cc1cc(N)ccn1
InChIInChI=1S/C12H18N4/c1-10(2)16(7-3-5-13)9-12-8-11(14)4-6-15-12/h4,6,8,10H,3,7,9H2,1-2H3,(H2,14,15)
InChIKeyGCWPEXUOWSKBTK-UHFFFAOYSA-N
XLogP1.79
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(4-amino-2-pyridinyl)methyl-propan-2-ylamino]propanenitrile 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 3-[(4-amino-2-pyridinyl)methyl-propan-2-ylamino]propanenitrile?
The IUPAC name of 3-[(4-amino-2-pyridinyl)methyl-propan-2-ylamino]propanenitrile (CID 79245797) is 3-[(4-amino-2-pyridinyl)methyl-propan-2-ylamino]propanenitrile.
What is the SMILES notation for 3-[(4-amino-2-pyridinyl)methyl-propan-2-ylamino]propanenitrile?
The canonical SMILES for 3-[(4-amino-2-pyridinyl)methyl-propan-2-ylamino]propanenitrile is CC(C)N(CCC#N)Cc1cc(N)ccn1.
What is the InChIKey of 3-[(4-amino-2-pyridinyl)methyl-propan-2-ylamino]propanenitrile?
The InChIKey is GCWPEXUOWSKBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-10(2)16(7-3-5-13)9-12-8-11(14)4-6-15-12/h4,6,8,10H,3,7,9H2,1-2H3,(H2,14,15).
What are the key properties of 3-[(4-amino-2-pyridinyl)methyl-propan-2-ylamino]propanenitrile?
3-[(4-amino-2-pyridinyl)methyl-propan-2-ylamino]propanenitrile has a molecular weight of 218.30 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-2-pyridinyl)methyl-propan-2-ylamino]propanenitrile is sourced from PubChem (CID 79245797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).