3-amino-2-[2-cyanoethyl(cyclopropyl)amino]pyridine-4-carbonitrile

C12H13N5 — CID 82817619

IUPAC3-amino-2-[2-cyanoethyl(cyclopropyl)amino]pyridine-4-carbonitrile
SMILESN#CCCN(c1nccc(C#N)c1N)C1CC1
InChIInChI=1S/C12H13N5/c13-5-1-7-17(10-2-3-10)12-11(15)9(8-14)4-6-16-12/h4,6,10H,1-3,7,15H2
InChIKeyVAABMLPJLYWZOH-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.42
Rot. Bonds4

About 3-amino-2-[2-cyanoethyl(cyclopropyl)amino]pyridine-4-carbonitrile

3-amino-2-[2-cyanoethyl(cyclopropyl)amino]pyridine-4-carbonitrile (PubChem CID 82817619) has the molecular formula C12H13N5 and a molecular weight of 227.27 g/mol. Its IUPAC name is 3-amino-2-[2-cyanoethyl(cyclopropyl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-[2-cyanoethyl(cyclopropyl)amino]pyridine-4-carbonitrile
PubChem CID82817619
Molecular FormulaC12H13N5
Molecular Weight227.27 g/mol
Exact Mass227.12
IUPAC Name3-amino-2-[2-cyanoethyl(cyclopropyl)amino]pyridine-4-carbonitrile
SMILESN#CCCN(c1nccc(C#N)c1N)C1CC1
InChIInChI=1S/C12H13N5/c13-5-1-7-17(10-2-3-10)12-11(15)9(8-14)4-6-16-12/h4,6,10H,1-3,7,15H2
InChIKeyVAABMLPJLYWZOH-UHFFFAOYSA-N
XLogP1.42
TPSA89.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-2-[cyclopropyl(propyl)amino]pyridine-4-carbonitrile
CID 82816961
3-[cyclopropyl-(3-nitro-2-pyridinyl)amino]propanenitrile
CID 54997173
3-amino-2-[bis(cyclopropylmethyl)amino]pyridine-4-carbonitrile
CID 82813472
3-[(2-amino-5-methylpyrimidin-4-yl)-cyclopropylamino]propanenitrile
CID 80809861
3-[[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]-cyclopropylamino]propanenitrile
CID 105385441
2-[(4-aminophenyl)methyl-cyclopropylamino]pyridine-3-carbonitrile
CID 60876489
2-[cyclopropyl(propyl)amino]pyridine-3-carbonitrile
CID 43270562
3-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-cyclopropylamino]propanenitrile
CID 103326449
3-[(6-amino-5-ethylpyrimidin-4-yl)-cyclopropylamino]propanenitrile
CID 80811362
3-[cyclopropyl-(5,6-diamino-2-pyridinyl)amino]propanenitrile
CID 79825815
3-[cyclopropyl(quinolin-4-yl)amino]propanenitrile
CID 54997270
3-[(4-cyano-3-nitro-2-pyridinyl)-cyclopropylamino]propanoic acid
CID 82814275

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[2-cyanoethyl(cyclopropyl)amino]pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-[2-cyanoethyl(cyclopropyl)amino]pyridine-4-carbonitrile (CID 82817619) is 3-amino-2-[2-cyanoethyl(cyclopropyl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-[2-cyanoethyl(cyclopropyl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-[2-cyanoethyl(cyclopropyl)amino]pyridine-4-carbonitrile is N#CCCN(c1nccc(C#N)c1N)C1CC1.
What is the InChIKey of 3-amino-2-[2-cyanoethyl(cyclopropyl)amino]pyridine-4-carbonitrile?
The InChIKey is VAABMLPJLYWZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5/c13-5-1-7-17(10-2-3-10)12-11(15)9(8-14)4-6-16-12/h4,6,10H,1-3,7,15H2.
What are the key properties of 3-amino-2-[2-cyanoethyl(cyclopropyl)amino]pyridine-4-carbonitrile?
3-amino-2-[2-cyanoethyl(cyclopropyl)amino]pyridine-4-carbonitrile has a molecular weight of 227.27 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[2-cyanoethyl(cyclopropyl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 82817619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).