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

C15H24N4 — CID 63889442

IUPAC4-[[2-[di(propan-2-yl)amino]ethylamino]methyl]pyridine-2-carbonitrile
SMILESCC(C)N(CCNCc1ccnc(C#N)c1)C(C)C
InChIInChI=1S/C15H24N4/c1-12(2)19(13(3)4)8-7-17-11-14-5-6-18-15(9-14)10-16/h5-6,9,12-13,17H,7-8,11H2,1-4H3
InChIKeyJVYIQQWRGKJVBJ-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.16
Rot. Bonds7

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

4-[[2-[di(propan-2-yl)amino]ethylamino]methyl]pyridine-2-carbonitrile (PubChem CID 63889442) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-[[2-[di(propan-2-yl)amino]ethylamino]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[[2-[di(propan-2-yl)amino]ethylamino]methyl]pyridine-2-carbonitrile
PubChem CID63889442
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name4-[[2-[di(propan-2-yl)amino]ethylamino]methyl]pyridine-2-carbonitrile
SMILESCC(C)N(CCNCc1ccnc(C#N)c1)C(C)C
InChIInChI=1S/C15H24N4/c1-12(2)19(13(3)4)8-7-17-11-14-5-6-18-15(9-14)10-16/h5-6,9,12-13,17H,7-8,11H2,1-4H3
InChIKeyJVYIQQWRGKJVBJ-UHFFFAOYSA-N
XLogP2.16
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[[2-[di(propan-2-yl)amino]ethylamino]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-[[(4-propan-2-ylphenyl)methylamino]methyl]pyridine-2-carbonitrile
CID 63882717
N-butan-2-yl-3-[(2-cyano-4-pyridinyl)methylamino]propanamide
CID 63883080
4-[[methyl(propan-2-yl)amino]methyl]pyridine-2-carbonitrile
CID 63884796
4-[(but-3-yn-2-ylamino)methyl]pyridine-2-carbonitrile
CID 114416679
4-[(2-methylpropoxyamino)methyl]pyridine-2-carbonitrile
CID 82715637
4-[(3,3-dimethylbutan-2-ylamino)methyl]pyridine-2-carbonitrile
CID 115752803
4-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]pyridine-2-carbonitrile
CID 63883285
4-[[(3-cyanophenyl)methylamino]methyl]pyridine-2-carbonitrile
CID 63883271
4-[[2-cyanoethyl(propan-2-yl)amino]methyl]pyridine-2-carbonitrile
CID 63880764
4-[2-(propan-2-ylamino)ethoxymethyl]pyridine-2-carbonitrile
CID 63881182
4-[(4-phenylbutan-2-ylamino)methyl]pyridine-2-carbonitrile
CID 63882521
4-[(3-methylpentan-3-ylamino)methyl]pyridine-2-carbonitrile
CID 103829289

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[di(propan-2-yl)amino]ethylamino]methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[[2-[di(propan-2-yl)amino]ethylamino]methyl]pyridine-2-carbonitrile (CID 63889442) is 4-[[2-[di(propan-2-yl)amino]ethylamino]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[[2-[di(propan-2-yl)amino]ethylamino]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[[2-[di(propan-2-yl)amino]ethylamino]methyl]pyridine-2-carbonitrile is CC(C)N(CCNCc1ccnc(C#N)c1)C(C)C.
What is the InChIKey of 4-[[2-[di(propan-2-yl)amino]ethylamino]methyl]pyridine-2-carbonitrile?
The InChIKey is JVYIQQWRGKJVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-12(2)19(13(3)4)8-7-17-11-14-5-6-18-15(9-14)10-16/h5-6,9,12-13,17H,7-8,11H2,1-4H3.
What are the key properties of 4-[[2-[di(propan-2-yl)amino]ethylamino]methyl]pyridine-2-carbonitrile?
4-[[2-[di(propan-2-yl)amino]ethylamino]methyl]pyridine-2-carbonitrile has a molecular weight of 260.38 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[di(propan-2-yl)amino]ethylamino]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63889442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).