3-(2-cyclopropylpropylamino)pyridine-4-carbonitrile

C12H15N3 — CID 115883746

IUPAC3-(2-cyclopropylpropylamino)pyridine-4-carbonitrile
SMILESCC(CNc1cnccc1C#N)C1CC1
InChIInChI=1S/C12H15N3/c1-9(10-2-3-10)7-15-12-8-14-5-4-11(12)6-13/h4-5,8-10,15H,2-3,7H2,1H3
InChIKeyXUFGAZFDCCSKLP-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.41
Rot. Bonds4

About 3-(2-cyclopropylpropylamino)pyridine-4-carbonitrile

3-(2-cyclopropylpropylamino)pyridine-4-carbonitrile (PubChem CID 115883746) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-(2-cyclopropylpropylamino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-(2-cyclopropylpropylamino)pyridine-4-carbonitrile
PubChem CID115883746
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name3-(2-cyclopropylpropylamino)pyridine-4-carbonitrile
SMILESCC(CNc1cnccc1C#N)C1CC1
InChIInChI=1S/C12H15N3/c1-9(10-2-3-10)7-15-12-8-14-5-4-11(12)6-13/h4-5,8-10,15H,2-3,7H2,1H3
InChIKeyXUFGAZFDCCSKLP-UHFFFAOYSA-N
XLogP2.41
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-pyrrolidin-1-ylpropylamino)pyridine-4-carbonitrile
CID 114287768
3-(2-hydroxypentylamino)pyridine-4-carbonitrile
CID 115883782
3-[[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]pyridine-4-carbonitrile
CID 136534742
3-(3-hydroxybutan-2-ylamino)pyridine-4-carbonitrile
CID 130963996
3-(4-propan-2-yloxybutylamino)pyridine-4-carbonitrile
CID 113381771
3-[2-(4-methylcyclohexyl)ethylamino]pyridine-4-carbonitrile
CID 114287626
3-[(2-methylcyclopentyl)methylamino]pyridine-4-carbonitrile
CID 107418667
6-N-(2-cyclopropylpropyl)isoquinoline-5,6-diamine
CID 106948405
N-(2-cyclopropylpropyl)-5-nitroisoquinolin-8-amine
CID 103141896
3-[2-(cyclopropylmethoxy)ethylamino]pyridine-4-carbonitrile
CID 103888654
3-(5-methylhexan-2-ylamino)pyridine-4-carbonitrile
CID 114287606
3-[(3-hydroxy-2,2-dimethylpropyl)amino]pyridine-4-carbonitrile
CID 115360433

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropylpropylamino)pyridine-4-carbonitrile?
The IUPAC name of 3-(2-cyclopropylpropylamino)pyridine-4-carbonitrile (CID 115883746) is 3-(2-cyclopropylpropylamino)pyridine-4-carbonitrile.
What is the SMILES notation for 3-(2-cyclopropylpropylamino)pyridine-4-carbonitrile?
The canonical SMILES for 3-(2-cyclopropylpropylamino)pyridine-4-carbonitrile is CC(CNc1cnccc1C#N)C1CC1.
What is the InChIKey of 3-(2-cyclopropylpropylamino)pyridine-4-carbonitrile?
The InChIKey is XUFGAZFDCCSKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-9(10-2-3-10)7-15-12-8-14-5-4-11(12)6-13/h4-5,8-10,15H,2-3,7H2,1H3.
What are the key properties of 3-(2-cyclopropylpropylamino)pyridine-4-carbonitrile?
3-(2-cyclopropylpropylamino)pyridine-4-carbonitrile has a molecular weight of 201.27 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropylpropylamino)pyridine-4-carbonitrile is sourced from PubChem (CID 115883746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).