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

C12H18N4 — CID 62642744

IUPAC2-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-4-carbonitrile
SMILESCC(C)N(C)CCNc1cc(C#N)ccn1
InChIInChI=1S/C12H18N4/c1-10(2)16(3)7-6-15-12-8-11(9-13)4-5-14-12/h4-5,8,10H,6-7H2,1-3H3,(H,14,15)
InChIKeyGKJCGFUCUSSDHY-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.71
Rot. Bonds5

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

2-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-4-carbonitrile (PubChem CID 62642744) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-4-carbonitrile
PubChem CID62642744
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name2-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-4-carbonitrile
SMILESCC(C)N(C)CCNc1cc(C#N)ccn1
InChIInChI=1S/C12H18N4/c1-10(2)16(3)7-6-15-12-8-11(9-13)4-5-14-12/h4-5,8,10H,6-7H2,1-3H3,(H,14,15)
InChIKeyGKJCGFUCUSSDHY-UHFFFAOYSA-N
XLogP1.71
TPSA51.95 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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(dimethylamino)ethylamino]pyridine-4-carbonitrile
CID 24703925
2-(4-methylpentylamino)pyridine-4-carbonitrile
CID 61039208
2-(2-methylpropylamino)pyridine-4-carbonitrile
CID 24707878
3-[2-[methyl(propan-2-yl)amino]ethylamino]benzonitrile
CID 102816217
2-(2-methylsulfonylethylamino)pyridine-4-carbonitrile
CID 60917893
2-(2-hydroxyethylamino)pyridine-4-carbonitrile
CID 22309035
3-bromo-4-[2-[methyl(propan-2-yl)amino]ethylamino]benzonitrile
CID 82712882
2-(pent-3-ynylamino)pyridine-4-carbonitrile
CID 116644253
2-[[2-methyl-3-(methylamino)propyl]amino]pyridine-4-carbonitrile
CID 115302962
2-[2-(2-methylphenyl)ethylamino]pyridine-4-carbonitrile
CID 79749854
4-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzonitrile
CID 55097943
2-(3-methylbutan-2-ylamino)pyridine-4-carbonitrile
CID 43131440

Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-4-carbonitrile?
The IUPAC name of 2-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-4-carbonitrile (CID 62642744) is 2-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-4-carbonitrile?
The canonical SMILES for 2-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-4-carbonitrile is CC(C)N(C)CCNc1cc(C#N)ccn1.
What is the InChIKey of 2-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-4-carbonitrile?
The InChIKey is GKJCGFUCUSSDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-10(2)16(3)7-6-15-12-8-11(9-13)4-5-14-12/h4-5,8,10H,6-7H2,1-3H3,(H,14,15).
What are the key properties of 2-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-4-carbonitrile?
2-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-4-carbonitrile has a molecular weight of 218.30 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 62642744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).