4-[[1-(hydroxymethyl)cyclopentyl]methylamino]cinnoline-3-carbonitrile

C16H18N4O — CID 115360612

IUPAC4-[[1-(hydroxymethyl)cyclopentyl]methylamino]cinnoline-3-carbonitrile
SMILESN#Cc1nnc2ccccc2c1NCC1(CO)CCCC1
InChIInChI=1S/C16H18N4O/c17-9-14-15(12-5-1-2-6-13(12)19-20-14)18-10-16(11-21)7-3-4-8-16/h1-2,5-6,21H,3-4,7-8,10-11H2,(H,18,19)
InChIKeyFXPZCDRBAVBLQP-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.47
Rot. Bonds4

About 4-[[1-(hydroxymethyl)cyclopentyl]methylamino]cinnoline-3-carbonitrile

4-[[1-(hydroxymethyl)cyclopentyl]methylamino]cinnoline-3-carbonitrile (PubChem CID 115360612) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 4-[[1-(hydroxymethyl)cyclopentyl]methylamino]cinnoline-3-carbonitrile.

Molecular Properties

Compound Name4-[[1-(hydroxymethyl)cyclopentyl]methylamino]cinnoline-3-carbonitrile
PubChem CID115360612
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name4-[[1-(hydroxymethyl)cyclopentyl]methylamino]cinnoline-3-carbonitrile
SMILESN#Cc1nnc2ccccc2c1NCC1(CO)CCCC1
InChIInChI=1S/C16H18N4O/c17-9-14-15(12-5-1-2-6-13(12)19-20-14)18-10-16(11-21)7-3-4-8-16/h1-2,5-6,21H,3-4,7-8,10-11H2,(H,18,19)
InChIKeyFXPZCDRBAVBLQP-UHFFFAOYSA-N
XLogP2.47
TPSA81.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1-ethylcyclobutyl)methylamino]cinnoline-3-carbonitrile
CID 103741750
4-[(1-propylcyclopropyl)methylamino]cinnoline-3-carbonitrile
CID 103761703
4-[(1-methylsulfanylcyclobutyl)methylamino]cinnoline-3-carbonitrile
CID 107268715
4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]cinnoline-3-carbonitrile
CID 107269555
[1-[(cinnolin-4-ylamino)methyl]cyclopentyl]methanol
CID 115360663
[1-[[(3-aminoquinolin-4-yl)amino]methyl]cyclohexyl]methanol
CID 103965467
[1-[(2,1-benzothiazol-3-ylamino)methyl]cyclopentyl]methanol
CID 113294048
4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]cinnoline-3-carbonitrile
CID 79359952
4-[(2-ethyl-2-hydroxybutyl)amino]cinnoline-3-carbonitrile
CID 64982839
[1-[[(4-methylphthalazin-1-yl)amino]methyl]cyclopentyl]methanol
CID 115360695
4-(2,2,3-trimethylbutylamino)cinnoline-3-carbonitrile
CID 102609039
2-[[1-(hydroxymethyl)cyclopropyl]methylamino]quinoline-4-carbonitrile
CID 79479205

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(hydroxymethyl)cyclopentyl]methylamino]cinnoline-3-carbonitrile?
The IUPAC name of 4-[[1-(hydroxymethyl)cyclopentyl]methylamino]cinnoline-3-carbonitrile (CID 115360612) is 4-[[1-(hydroxymethyl)cyclopentyl]methylamino]cinnoline-3-carbonitrile.
What is the SMILES notation for 4-[[1-(hydroxymethyl)cyclopentyl]methylamino]cinnoline-3-carbonitrile?
The canonical SMILES for 4-[[1-(hydroxymethyl)cyclopentyl]methylamino]cinnoline-3-carbonitrile is N#Cc1nnc2ccccc2c1NCC1(CO)CCCC1.
What is the InChIKey of 4-[[1-(hydroxymethyl)cyclopentyl]methylamino]cinnoline-3-carbonitrile?
The InChIKey is FXPZCDRBAVBLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c17-9-14-15(12-5-1-2-6-13(12)19-20-14)18-10-16(11-21)7-3-4-8-16/h1-2,5-6,21H,3-4,7-8,10-11H2,(H,18,19).
What are the key properties of 4-[[1-(hydroxymethyl)cyclopentyl]methylamino]cinnoline-3-carbonitrile?
4-[[1-(hydroxymethyl)cyclopentyl]methylamino]cinnoline-3-carbonitrile has a molecular weight of 282.35 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(hydroxymethyl)cyclopentyl]methylamino]cinnoline-3-carbonitrile is sourced from PubChem (CID 115360612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).