2-[[2-methyl-3-(methylamino)propyl]amino]pyridine-4-carbonitrile

C11H16N4 — CID 115302962

IUPAC2-[[2-methyl-3-(methylamino)propyl]amino]pyridine-4-carbonitrile
SMILESCNCC(C)CNc1cc(C#N)ccn1
InChIInChI=1S/C11H16N4/c1-9(7-13-2)8-15-11-5-10(6-12)3-4-14-11/h3-5,9,13H,7-8H2,1-2H3,(H,14,15)
InChIKeyIGKBJPXTAMFUFX-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.22
Rot. Bonds5

About 2-[[2-methyl-3-(methylamino)propyl]amino]pyridine-4-carbonitrile

2-[[2-methyl-3-(methylamino)propyl]amino]pyridine-4-carbonitrile (PubChem CID 115302962) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 2-[[2-methyl-3-(methylamino)propyl]amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[[2-methyl-3-(methylamino)propyl]amino]pyridine-4-carbonitrile
PubChem CID115302962
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name2-[[2-methyl-3-(methylamino)propyl]amino]pyridine-4-carbonitrile
SMILESCNCC(C)CNc1cc(C#N)ccn1
InChIInChI=1S/C11H16N4/c1-9(7-13-2)8-15-11-5-10(6-12)3-4-14-11/h3-5,9,13H,7-8H2,1-2H3,(H,14,15)
InChIKeyIGKBJPXTAMFUFX-UHFFFAOYSA-N
XLogP1.22
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylpropylamino)pyridine-4-carbonitrile
CID 24707878
2-(4-methylpentylamino)pyridine-4-carbonitrile
CID 61039208
2-[(2-cyclopropyl-2-hydroxyethyl)amino]pyridine-4-carbonitrile
CID 63296137
2-[[2-methyl-3-(methylamino)propyl]amino]pyrimidine-4-carbonitrile
CID 107552672
2-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-4-carbonitrile
CID 62642744
2-[[2-(diethylamino)-2-phenylethyl]amino]pyridine-4-carbonitrile
CID 43823027
2-(3-methylbutan-2-ylamino)pyridine-4-carbonitrile
CID 43131440
2-[(2-amino-2-methylpropyl)amino]pyridine-4-carbonitrile
CID 115303626
2-(2-hydroxyethylamino)pyridine-4-carbonitrile
CID 22309035
2-(5-methylhexan-2-ylamino)pyridine-4-carbonitrile
CID 63926299
2-[2-(dimethylamino)ethylamino]pyridine-4-carbonitrile
CID 24703925
2-(pent-3-ynylamino)pyridine-4-carbonitrile
CID 116644253

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-3-(methylamino)propyl]amino]pyridine-4-carbonitrile?
The IUPAC name of 2-[[2-methyl-3-(methylamino)propyl]amino]pyridine-4-carbonitrile (CID 115302962) is 2-[[2-methyl-3-(methylamino)propyl]amino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[[2-methyl-3-(methylamino)propyl]amino]pyridine-4-carbonitrile?
The canonical SMILES for 2-[[2-methyl-3-(methylamino)propyl]amino]pyridine-4-carbonitrile is CNCC(C)CNc1cc(C#N)ccn1.
What is the InChIKey of 2-[[2-methyl-3-(methylamino)propyl]amino]pyridine-4-carbonitrile?
The InChIKey is IGKBJPXTAMFUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-9(7-13-2)8-15-11-5-10(6-12)3-4-14-11/h3-5,9,13H,7-8H2,1-2H3,(H,14,15).
What are the key properties of 2-[[2-methyl-3-(methylamino)propyl]amino]pyridine-4-carbonitrile?
2-[[2-methyl-3-(methylamino)propyl]amino]pyridine-4-carbonitrile has a molecular weight of 204.28 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-3-(methylamino)propyl]amino]pyridine-4-carbonitrile is sourced from PubChem (CID 115302962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).