4-[(3-methylcyclopentyl)amino]cinnoline-3-carbonitrile

C15H16N4 — CID 114547691

IUPAC4-[(3-methylcyclopentyl)amino]cinnoline-3-carbonitrile
SMILESCC1CCC(Nc2c(C#N)nnc3ccccc23)C1
InChIInChI=1S/C15H16N4/c1-10-6-7-11(8-10)17-15-12-4-2-3-5-13(12)18-19-14(15)9-16/h2-5,10-11H,6-8H2,1H3,(H,17,18)
InChIKeyJXDBYOCCXKQLIW-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.10
Rot. Bonds2

About 4-[(3-methylcyclopentyl)amino]cinnoline-3-carbonitrile

4-[(3-methylcyclopentyl)amino]cinnoline-3-carbonitrile (PubChem CID 114547691) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-[(3-methylcyclopentyl)amino]cinnoline-3-carbonitrile.

Molecular Properties

Compound Name4-[(3-methylcyclopentyl)amino]cinnoline-3-carbonitrile
PubChem CID114547691
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name4-[(3-methylcyclopentyl)amino]cinnoline-3-carbonitrile
SMILESCC1CCC(Nc2c(C#N)nnc3ccccc23)C1
InChIInChI=1S/C15H16N4/c1-10-6-7-11(8-10)17-15-12-4-2-3-5-13(12)18-19-14(15)9-16/h2-5,10-11H,6-8H2,1H3,(H,17,18)
InChIKeyJXDBYOCCXKQLIW-UHFFFAOYSA-N
XLogP3.10
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylcyclopentyl)amino]cinnoline-3-carbonitrile?
The IUPAC name of 4-[(3-methylcyclopentyl)amino]cinnoline-3-carbonitrile (CID 114547691) is 4-[(3-methylcyclopentyl)amino]cinnoline-3-carbonitrile.
What is the SMILES notation for 4-[(3-methylcyclopentyl)amino]cinnoline-3-carbonitrile?
The canonical SMILES for 4-[(3-methylcyclopentyl)amino]cinnoline-3-carbonitrile is CC1CCC(Nc2c(C#N)nnc3ccccc23)C1.
What is the InChIKey of 4-[(3-methylcyclopentyl)amino]cinnoline-3-carbonitrile?
The InChIKey is JXDBYOCCXKQLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-10-6-7-11(8-10)17-15-12-4-2-3-5-13(12)18-19-14(15)9-16/h2-5,10-11H,6-8H2,1H3,(H,17,18).
What are the key properties of 4-[(3-methylcyclopentyl)amino]cinnoline-3-carbonitrile?
4-[(3-methylcyclopentyl)amino]cinnoline-3-carbonitrile has a molecular weight of 252.32 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylcyclopentyl)amino]cinnoline-3-carbonitrile is sourced from PubChem (CID 114547691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).