5-amino-6-[[1-(hydroxymethyl)cyclopentyl]methylamino]pyridine-3-carbonitrile

C13H18N4O — CID 103468880

IUPAC5-amino-6-[[1-(hydroxymethyl)cyclopentyl]methylamino]pyridine-3-carbonitrile
SMILESN#Cc1cnc(NCC2(CO)CCCC2)c(N)c1
InChIInChI=1S/C13H18N4O/c14-6-10-5-11(15)12(16-7-10)17-8-13(9-18)3-1-2-4-13/h5,7,18H,1-4,8-9,15H2,(H,16,17)
InChIKeyFSZMBBRLBGWSMZ-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.50
Rot. Bonds4

About 5-amino-6-[[1-(hydroxymethyl)cyclopentyl]methylamino]pyridine-3-carbonitrile

5-amino-6-[[1-(hydroxymethyl)cyclopentyl]methylamino]pyridine-3-carbonitrile (PubChem CID 103468880) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-amino-6-[[1-(hydroxymethyl)cyclopentyl]methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-6-[[1-(hydroxymethyl)cyclopentyl]methylamino]pyridine-3-carbonitrile
PubChem CID103468880
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name5-amino-6-[[1-(hydroxymethyl)cyclopentyl]methylamino]pyridine-3-carbonitrile
SMILESN#Cc1cnc(NCC2(CO)CCCC2)c(N)c1
InChIInChI=1S/C13H18N4O/c14-6-10-5-11(15)12(16-7-10)17-8-13(9-18)3-1-2-4-13/h5,7,18H,1-4,8-9,15H2,(H,16,17)
InChIKeyFSZMBBRLBGWSMZ-UHFFFAOYSA-N
XLogP1.50
TPSA94.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-6-[(4-hydroxyoxan-4-yl)methylamino]pyridine-3-carbonitrile
CID 103468844
5-amino-6-[[4-(hydroxymethyl)oxan-4-yl]amino]pyridine-3-carbonitrile
CID 114169972
5-amino-6-(cyclobutylmethylamino)pyridine-3-carbonitrile
CID 103467531
5-amino-6-(cyclohexylmethylamino)pyridine-3-carbonitrile
CID 103467539
5-amino-6-[(2,2-difluoro-3-hydroxypropyl)amino]pyridine-3-carbonitrile
CID 106167287
[1-[[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]methyl]cyclohexyl]methanol
CID 104507130
5-amino-6-(2,2,2-trifluoroethylamino)pyridine-3-carbonitrile
CID 103467321
5-amino-6-(2,2-dimethylbutylamino)pyridine-3-carbonitrile
CID 103469344
[1-[[(3-bromo-5-chloro-2-pyridinyl)amino]methyl]cyclopentyl]methanol
CID 114836032
[1-[[(6-amino-5-propylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 103968751
4-amino-2-[[1-(hydroxymethyl)cyclobutyl]methylamino]pyrimidine-5-carbonitrile
CID 131952801
[1-[[(6-aminopyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 113359835

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[[1-(hydroxymethyl)cyclopentyl]methylamino]pyridine-3-carbonitrile?
The IUPAC name of 5-amino-6-[[1-(hydroxymethyl)cyclopentyl]methylamino]pyridine-3-carbonitrile (CID 103468880) is 5-amino-6-[[1-(hydroxymethyl)cyclopentyl]methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-6-[[1-(hydroxymethyl)cyclopentyl]methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-6-[[1-(hydroxymethyl)cyclopentyl]methylamino]pyridine-3-carbonitrile is N#Cc1cnc(NCC2(CO)CCCC2)c(N)c1.
What is the InChIKey of 5-amino-6-[[1-(hydroxymethyl)cyclopentyl]methylamino]pyridine-3-carbonitrile?
The InChIKey is FSZMBBRLBGWSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c14-6-10-5-11(15)12(16-7-10)17-8-13(9-18)3-1-2-4-13/h5,7,18H,1-4,8-9,15H2,(H,16,17).
What are the key properties of 5-amino-6-[[1-(hydroxymethyl)cyclopentyl]methylamino]pyridine-3-carbonitrile?
5-amino-6-[[1-(hydroxymethyl)cyclopentyl]methylamino]pyridine-3-carbonitrile has a molecular weight of 246.31 g/mol, XLogP of 1.50, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[[1-(hydroxymethyl)cyclopentyl]methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 103468880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).