2-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]pyridine-3-carbonitrile

C13H13N7 — CID 46817449

IUPAC2-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1NCCCc1[nH]nc(N)c1C#N
InChIInChI=1S/C13H13N7/c14-7-9-3-1-5-17-13(9)18-6-2-4-11-10(8-15)12(16)20-19-11/h1,3,5H,2,4,6H2,(H,17,18)(H3,16,19,20)
InChIKeyGADWGSDCUVPZFY-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.17
Rot. Bonds5

About 2-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]pyridine-3-carbonitrile

2-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]pyridine-3-carbonitrile (PubChem CID 46817449) has the molecular formula C13H13N7 and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]pyridine-3-carbonitrile
PubChem CID46817449
Molecular FormulaC13H13N7
Molecular Weight267.30 g/mol
Exact Mass267.12
IUPAC Name2-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1NCCCc1[nH]nc(N)c1C#N
InChIInChI=1S/C13H13N7/c14-7-9-3-1-5-17-13(9)18-6-2-4-11-10(8-15)12(16)20-19-11/h1,3,5H,2,4,6H2,(H,17,18)(H3,16,19,20)
InChIKeyGADWGSDCUVPZFY-UHFFFAOYSA-N
XLogP1.17
TPSA127.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]pyridine-3-carbonitrile?
The IUPAC name of 2-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]pyridine-3-carbonitrile (CID 46817449) is 2-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]pyridine-3-carbonitrile is N#Cc1cccnc1NCCCc1[nH]nc(N)c1C#N.
What is the InChIKey of 2-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]pyridine-3-carbonitrile?
The InChIKey is GADWGSDCUVPZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7/c14-7-9-3-1-5-17-13(9)18-6-2-4-11-10(8-15)12(16)20-19-11/h1,3,5H,2,4,6H2,(H,17,18)(H3,16,19,20).
What are the key properties of 2-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]pyridine-3-carbonitrile?
2-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]pyridine-3-carbonitrile has a molecular weight of 267.30 g/mol, XLogP of 1.17, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 46817449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).