4-[(3-hydroxycyclopentyl)methylamino]cinnoline-3-carbonitrile

C15H16N4O — CID 103269781

IUPAC4-[(3-hydroxycyclopentyl)methylamino]cinnoline-3-carbonitrile
SMILESN#Cc1nnc2ccccc2c1NCC1CCC(O)C1
InChIInChI=1S/C15H16N4O/c16-8-14-15(17-9-10-5-6-11(20)7-10)12-3-1-2-4-13(12)18-19-14/h1-4,10-11,20H,5-7,9H2,(H,17,18)
InChIKeyXRKFQXNPJNVHRH-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.07
Rot. Bonds3

About 4-[(3-hydroxycyclopentyl)methylamino]cinnoline-3-carbonitrile

4-[(3-hydroxycyclopentyl)methylamino]cinnoline-3-carbonitrile (PubChem CID 103269781) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-[(3-hydroxycyclopentyl)methylamino]cinnoline-3-carbonitrile.

Molecular Properties

Compound Name4-[(3-hydroxycyclopentyl)methylamino]cinnoline-3-carbonitrile
PubChem CID103269781
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name4-[(3-hydroxycyclopentyl)methylamino]cinnoline-3-carbonitrile
SMILESN#Cc1nnc2ccccc2c1NCC1CCC(O)C1
InChIInChI=1S/C15H16N4O/c16-8-14-15(17-9-10-5-6-11(20)7-10)12-3-1-2-4-13(12)18-19-14/h1-4,10-11,20H,5-7,9H2,(H,17,18)
InChIKeyXRKFQXNPJNVHRH-UHFFFAOYSA-N
XLogP2.07
TPSA81.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(3-hydroxycyclopentyl)methylamino]cinnoline-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(pyrrolidin-3-ylmethylamino)cinnoline-3-carbonitrile
CID 80563975
4-(oxan-3-ylmethylamino)cinnoline-3-carbonitrile
CID 64898322
4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]cinnoline-3-carbonitrile
CID 79359952
4-(1,4-dithian-2-ylmethylamino)cinnoline-3-carbonitrile
CID 115685301
4-[(2-amino-2-cyclopropylethyl)amino]cinnoline-3-carbonitrile
CID 115301445
4-[(3-hydroxycyclopentyl)methylamino]naphthalene-1-carbonitrile
CID 106128337
4-[(2,6-dimethylpiperidin-1-yl)amino]cinnoline-3-carbonitrile
CID 83018198
4-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethylamino)cinnoline-3-carbonitrile
CID 91643501
4-[(2-ethyl-2-hydroxybutyl)amino]cinnoline-3-carbonitrile
CID 64982839
4-[[1-(hydroxymethyl)cyclopentyl]methylamino]cinnoline-3-carbonitrile
CID 115360612
4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]cinnoline-3-carbonitrile
CID 107269555
4-(2,2,3-trimethylbutylamino)cinnoline-3-carbonitrile
CID 102609039

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxycyclopentyl)methylamino]cinnoline-3-carbonitrile?
The IUPAC name of 4-[(3-hydroxycyclopentyl)methylamino]cinnoline-3-carbonitrile (CID 103269781) is 4-[(3-hydroxycyclopentyl)methylamino]cinnoline-3-carbonitrile.
What is the SMILES notation for 4-[(3-hydroxycyclopentyl)methylamino]cinnoline-3-carbonitrile?
The canonical SMILES for 4-[(3-hydroxycyclopentyl)methylamino]cinnoline-3-carbonitrile is N#Cc1nnc2ccccc2c1NCC1CCC(O)C1.
What is the InChIKey of 4-[(3-hydroxycyclopentyl)methylamino]cinnoline-3-carbonitrile?
The InChIKey is XRKFQXNPJNVHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c16-8-14-15(17-9-10-5-6-11(20)7-10)12-3-1-2-4-13(12)18-19-14/h1-4,10-11,20H,5-7,9H2,(H,17,18).
What are the key properties of 4-[(3-hydroxycyclopentyl)methylamino]cinnoline-3-carbonitrile?
4-[(3-hydroxycyclopentyl)methylamino]cinnoline-3-carbonitrile has a molecular weight of 268.32 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxycyclopentyl)methylamino]cinnoline-3-carbonitrile is sourced from PubChem (CID 103269781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).