3-(N-[6-(methylamino)-2-pyridinyl]anilino)propanenitrile

C15H16N4 — CID 80755033

IUPAC3-(N-[6-(methylamino)-2-pyridinyl]anilino)propanenitrile
SMILESCNc1cccc(N(CCC#N)c2ccccc2)n1
InChIInChI=1S/C15H16N4/c1-17-14-9-5-10-15(18-14)19(12-6-11-16)13-7-3-2-4-8-13/h2-5,7-10H,6,12H2,1H3,(H,17,18)
InChIKeyWRUUUCJDQVGUCH-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.18
Rot. Bonds5

About 3-(N-[6-(methylamino)-2-pyridinyl]anilino)propanenitrile

3-(N-[6-(methylamino)-2-pyridinyl]anilino)propanenitrile (PubChem CID 80755033) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-(N-[6-(methylamino)-2-pyridinyl]anilino)propanenitrile.

Molecular Properties

Compound Name3-(N-[6-(methylamino)-2-pyridinyl]anilino)propanenitrile
PubChem CID80755033
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name3-(N-[6-(methylamino)-2-pyridinyl]anilino)propanenitrile
SMILESCNc1cccc(N(CCC#N)c2ccccc2)n1
InChIInChI=1S/C15H16N4/c1-17-14-9-5-10-15(18-14)19(12-6-11-16)13-7-3-2-4-8-13/h2-5,7-10H,6,12H2,1H3,(H,17,18)
InChIKeyWRUUUCJDQVGUCH-UHFFFAOYSA-N
XLogP3.18
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(N-[6-(methylamino)-2-pyridinyl]anilino)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-(N-[6-(methylamino)-2-pyridinyl]anilino)propanenitrile?
The IUPAC name of 3-(N-[6-(methylamino)-2-pyridinyl]anilino)propanenitrile (CID 80755033) is 3-(N-[6-(methylamino)-2-pyridinyl]anilino)propanenitrile.
What is the SMILES notation for 3-(N-[6-(methylamino)-2-pyridinyl]anilino)propanenitrile?
The canonical SMILES for 3-(N-[6-(methylamino)-2-pyridinyl]anilino)propanenitrile is CNc1cccc(N(CCC#N)c2ccccc2)n1.
What is the InChIKey of 3-(N-[6-(methylamino)-2-pyridinyl]anilino)propanenitrile?
The InChIKey is WRUUUCJDQVGUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-17-14-9-5-10-15(18-14)19(12-6-11-16)13-7-3-2-4-8-13/h2-5,7-10H,6,12H2,1H3,(H,17,18).
What are the key properties of 3-(N-[6-(methylamino)-2-pyridinyl]anilino)propanenitrile?
3-(N-[6-(methylamino)-2-pyridinyl]anilino)propanenitrile has a molecular weight of 252.32 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-[6-(methylamino)-2-pyridinyl]anilino)propanenitrile is sourced from PubChem (CID 80755033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).