5-amino-6-(2-phenylpropylamino)pyridine-3-carbonitrile

C15H16N4 — CID 103469065

IUPAC5-amino-6-(2-phenylpropylamino)pyridine-3-carbonitrile
SMILESCC(CNc1ncc(C#N)cc1N)c1ccccc1
InChIInChI=1S/C15H16N4/c1-11(13-5-3-2-4-6-13)9-18-15-14(17)7-12(8-16)10-19-15/h2-7,10-11H,9,17H2,1H3,(H,18,19)
InChIKeyWELHUHLLYRNHHP-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.75
Rot. Bonds4

About 5-amino-6-(2-phenylpropylamino)pyridine-3-carbonitrile

5-amino-6-(2-phenylpropylamino)pyridine-3-carbonitrile (PubChem CID 103469065) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-amino-6-(2-phenylpropylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-6-(2-phenylpropylamino)pyridine-3-carbonitrile
PubChem CID103469065
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name5-amino-6-(2-phenylpropylamino)pyridine-3-carbonitrile
SMILESCC(CNc1ncc(C#N)cc1N)c1ccccc1
InChIInChI=1S/C15H16N4/c1-11(13-5-3-2-4-6-13)9-18-15-14(17)7-12(8-16)10-19-15/h2-7,10-11H,9,17H2,1H3,(H,18,19)
InChIKeyWELHUHLLYRNHHP-UHFFFAOYSA-N
XLogP2.75
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-6-(2,3,3-trimethylbutylamino)pyridine-3-carbonitrile
CID 103468967
5-amino-6-(2-methylsulfinylpropylamino)pyridine-3-carbonitrile
CID 103469139
5-amino-6-[2-(2-methylphenyl)ethylamino]pyridine-3-carbonitrile
CID 103468756
5-amino-6-(2,2-dimethylbutylamino)pyridine-3-carbonitrile
CID 103469344
5-amino-6-[2-(2-methoxyphenyl)ethylamino]pyridine-3-carbonitrile
CID 106259794
5-amino-6-(2,2,2-trifluoroethylamino)pyridine-3-carbonitrile
CID 103467321
5-methyl-4-N-(2-phenylpropyl)pyrimidine-4,6-diamine
CID 113430292
5-amino-6-(2-methylpentan-3-ylamino)pyridine-3-carbonitrile
CID 103467864
3-bromo-4-(2-phenylpropylamino)benzonitrile
CID 43722644
5-amino-6-[2-(2-methoxyethoxy)ethylamino]pyridine-3-carbonitrile
CID 103468093
6-methyl-2-N-(2-phenylpropyl)pyridine-2,3-diamine
CID 104591310
5-amino-6-(2-ethoxyethylamino)pyridine-3-carbonitrile
CID 103467671

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(2-phenylpropylamino)pyridine-3-carbonitrile?
The IUPAC name of 5-amino-6-(2-phenylpropylamino)pyridine-3-carbonitrile (CID 103469065) is 5-amino-6-(2-phenylpropylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-6-(2-phenylpropylamino)pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-6-(2-phenylpropylamino)pyridine-3-carbonitrile is CC(CNc1ncc(C#N)cc1N)c1ccccc1.
What is the InChIKey of 5-amino-6-(2-phenylpropylamino)pyridine-3-carbonitrile?
The InChIKey is WELHUHLLYRNHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-11(13-5-3-2-4-6-13)9-18-15-14(17)7-12(8-16)10-19-15/h2-7,10-11H,9,17H2,1H3,(H,18,19).
What are the key properties of 5-amino-6-(2-phenylpropylamino)pyridine-3-carbonitrile?
5-amino-6-(2-phenylpropylamino)pyridine-3-carbonitrile has a molecular weight of 252.32 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(2-phenylpropylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 103469065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).