4-[[2-cyanoethyl(propan-2-yl)amino]methyl]pyridine-2-carbonitrile

C13H16N4 — CID 63880764

IUPAC4-[[2-cyanoethyl(propan-2-yl)amino]methyl]pyridine-2-carbonitrile
SMILESCC(C)N(CCC#N)Cc1ccnc(C#N)c1
InChIInChI=1S/C13H16N4/c1-11(2)17(7-3-5-14)10-12-4-6-16-13(8-12)9-15/h4,6,8,11H,3,7,10H2,1-2H3
InChIKeyBNINISZVMXCWSQ-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.08
Rot. Bonds5

About 4-[[2-cyanoethyl(propan-2-yl)amino]methyl]pyridine-2-carbonitrile

4-[[2-cyanoethyl(propan-2-yl)amino]methyl]pyridine-2-carbonitrile (PubChem CID 63880764) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 4-[[2-cyanoethyl(propan-2-yl)amino]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[[2-cyanoethyl(propan-2-yl)amino]methyl]pyridine-2-carbonitrile
PubChem CID63880764
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name4-[[2-cyanoethyl(propan-2-yl)amino]methyl]pyridine-2-carbonitrile
SMILESCC(C)N(CCC#N)Cc1ccnc(C#N)c1
InChIInChI=1S/C13H16N4/c1-11(2)17(7-3-5-14)10-12-4-6-16-13(8-12)9-15/h4,6,8,11H,3,7,10H2,1-2H3
InChIKeyBNINISZVMXCWSQ-UHFFFAOYSA-N
XLogP2.08
TPSA63.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[[2-cyanoethyl(propan-2-yl)amino]methyl]pyridine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[2-methylpropyl(propan-2-yl)amino]methyl]pyridine-2-carbonitrile
CID 63885383
3-[(2-cyano-4-pyridinyl)methyl-propan-2-ylamino]propanoic acid
CID 63883330
4-[[(4-aminophenyl)methyl-propan-2-ylamino]methyl]pyridine-2-carbonitrile
CID 63880581
4-[[methyl(propan-2-yl)amino]methyl]pyridine-2-carbonitrile
CID 63884796
5-[[2-cyanoethyl(propan-2-yl)amino]methyl]-2-fluorobenzonitrile
CID 103758555
3-[(4-amino-2-pyridinyl)methyl-propan-2-ylamino]propanenitrile
CID 79245797
4-[[2-cyanoethyl(pyridin-3-ylmethyl)amino]methyl]pyridine-2-carbonitrile
CID 63885763
4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]pyridine-2-carbonitrile
CID 63886160
4-[[bis(2-methoxyethyl)amino]methyl]pyridine-2-carbonitrile
CID 63884216
2-[(2-cyano-4-pyridinyl)methyl-methylamino]propanoic acid
CID 63883137
4-[[2-[di(propan-2-yl)amino]ethylamino]methyl]pyridine-2-carbonitrile
CID 63889442
3-[[2-cyanoethyl(propan-2-yl)amino]methyl]benzoic acid
CID 54998542

Frequently Asked Questions

What is the IUPAC name of 4-[[2-cyanoethyl(propan-2-yl)amino]methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[[2-cyanoethyl(propan-2-yl)amino]methyl]pyridine-2-carbonitrile (CID 63880764) is 4-[[2-cyanoethyl(propan-2-yl)amino]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[[2-cyanoethyl(propan-2-yl)amino]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[[2-cyanoethyl(propan-2-yl)amino]methyl]pyridine-2-carbonitrile is CC(C)N(CCC#N)Cc1ccnc(C#N)c1.
What is the InChIKey of 4-[[2-cyanoethyl(propan-2-yl)amino]methyl]pyridine-2-carbonitrile?
The InChIKey is BNINISZVMXCWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-11(2)17(7-3-5-14)10-12-4-6-16-13(8-12)9-15/h4,6,8,11H,3,7,10H2,1-2H3.
What are the key properties of 4-[[2-cyanoethyl(propan-2-yl)amino]methyl]pyridine-2-carbonitrile?
4-[[2-cyanoethyl(propan-2-yl)amino]methyl]pyridine-2-carbonitrile has a molecular weight of 228.30 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-cyanoethyl(propan-2-yl)amino]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63880764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).