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

C14H22N4 — CID 62465917

IUPAC3-[[2-(ethylamino)-3-pyridinyl]methyl-propan-2-ylamino]propanenitrile
SMILESCCNc1ncccc1CN(CCC#N)C(C)C
InChIInChI=1S/C14H22N4/c1-4-16-14-13(7-5-9-17-14)11-18(12(2)3)10-6-8-15/h5,7,9,12H,4,6,10-11H2,1-3H3,(H,16,17)
InChIKeyPGOJSSULWRTHGG-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.64
Rot. Bonds7

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

3-[[2-(ethylamino)-3-pyridinyl]methyl-propan-2-ylamino]propanenitrile (PubChem CID 62465917) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 3-[[2-(ethylamino)-3-pyridinyl]methyl-propan-2-ylamino]propanenitrile.

Molecular Properties

Compound Name3-[[2-(ethylamino)-3-pyridinyl]methyl-propan-2-ylamino]propanenitrile
PubChem CID62465917
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name3-[[2-(ethylamino)-3-pyridinyl]methyl-propan-2-ylamino]propanenitrile
SMILESCCNc1ncccc1CN(CCC#N)C(C)C
InChIInChI=1S/C14H22N4/c1-4-16-14-13(7-5-9-17-14)11-18(12(2)3)10-6-8-15/h5,7,9,12H,4,6,10-11H2,1-3H3,(H,16,17)
InChIKeyPGOJSSULWRTHGG-UHFFFAOYSA-N
XLogP2.64
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[2-(ethylamino)-3-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-[[2-(ethylamino)-3-pyridinyl]methyl-propan-2-ylamino]propanenitrile?
The IUPAC name of 3-[[2-(ethylamino)-3-pyridinyl]methyl-propan-2-ylamino]propanenitrile (CID 62465917) is 3-[[2-(ethylamino)-3-pyridinyl]methyl-propan-2-ylamino]propanenitrile.
What is the SMILES notation for 3-[[2-(ethylamino)-3-pyridinyl]methyl-propan-2-ylamino]propanenitrile?
The canonical SMILES for 3-[[2-(ethylamino)-3-pyridinyl]methyl-propan-2-ylamino]propanenitrile is CCNc1ncccc1CN(CCC#N)C(C)C.
What is the InChIKey of 3-[[2-(ethylamino)-3-pyridinyl]methyl-propan-2-ylamino]propanenitrile?
The InChIKey is PGOJSSULWRTHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-4-16-14-13(7-5-9-17-14)11-18(12(2)3)10-6-8-15/h5,7,9,12H,4,6,10-11H2,1-3H3,(H,16,17).
What are the key properties of 3-[[2-(ethylamino)-3-pyridinyl]methyl-propan-2-ylamino]propanenitrile?
3-[[2-(ethylamino)-3-pyridinyl]methyl-propan-2-ylamino]propanenitrile has a molecular weight of 246.36 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(ethylamino)-3-pyridinyl]methyl-propan-2-ylamino]propanenitrile is sourced from PubChem (CID 62465917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).