3-amino-2-[(2-hydroxycycloheptyl)amino]pyridine-4-carbonitrile

C13H18N4O — CID 113394617

IUPAC3-amino-2-[(2-hydroxycycloheptyl)amino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NC2CCCCCC2O)c1N
InChIInChI=1S/C13H18N4O/c14-8-9-6-7-16-13(12(9)15)17-10-4-2-1-3-5-11(10)18/h6-7,10-11,18H,1-5,15H2,(H,16,17)
InChIKeyHVRIBBGTODQMKE-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.64
Rot. Bonds2

About 3-amino-2-[(2-hydroxycycloheptyl)amino]pyridine-4-carbonitrile

3-amino-2-[(2-hydroxycycloheptyl)amino]pyridine-4-carbonitrile (PubChem CID 113394617) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-amino-2-[(2-hydroxycycloheptyl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-[(2-hydroxycycloheptyl)amino]pyridine-4-carbonitrile
PubChem CID113394617
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name3-amino-2-[(2-hydroxycycloheptyl)amino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NC2CCCCCC2O)c1N
InChIInChI=1S/C13H18N4O/c14-8-9-6-7-16-13(12(9)15)17-10-4-2-1-3-5-11(10)18/h6-7,10-11,18H,1-5,15H2,(H,16,17)
InChIKeyHVRIBBGTODQMKE-UHFFFAOYSA-N
XLogP1.64
TPSA94.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-2-[(2-methylcycloheptyl)amino]pyridine-4-carbonitrile
CID 82813370
3-amino-2-(cyclooctylamino)pyridine-4-carbonitrile
CID 82817121
3-amino-2-(cyclopentylamino)pyridine-4-carbonitrile
CID 82817355
3-amino-2-[(2-hydroxycyclopentyl)methylamino]pyridine-4-carbonitrile
CID 82813785
3-amino-2-(cyclopentylmethylamino)pyridine-4-carbonitrile
CID 82817445
3-amino-2-[(2,2-dimethylcyclopentyl)amino]pyridine-4-carbonitrile
CID 82812965
3-amino-2-(2-cyclopentylethylamino)pyridine-4-carbonitrile
CID 82816968
3-amino-2-(1-cyclopentylethylamino)pyridine-4-carbonitrile
CID 82813264
3-amino-2-(propan-2-ylamino)pyridine-4-carbonitrile
CID 82817119
3-chloro-2-(cyclohexylamino)pyridine-4-carbonitrile
CID 107056628
3-amino-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-4-carbonitrile
CID 106252122
3-amino-2-[2-(oxan-2-yl)ethylamino]pyridine-4-carbonitrile
CID 114135773

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[(2-hydroxycycloheptyl)amino]pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-[(2-hydroxycycloheptyl)amino]pyridine-4-carbonitrile (CID 113394617) is 3-amino-2-[(2-hydroxycycloheptyl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-[(2-hydroxycycloheptyl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-[(2-hydroxycycloheptyl)amino]pyridine-4-carbonitrile is N#Cc1ccnc(NC2CCCCCC2O)c1N.
What is the InChIKey of 3-amino-2-[(2-hydroxycycloheptyl)amino]pyridine-4-carbonitrile?
The InChIKey is HVRIBBGTODQMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c14-8-9-6-7-16-13(12(9)15)17-10-4-2-1-3-5-11(10)18/h6-7,10-11,18H,1-5,15H2,(H,16,17).
What are the key properties of 3-amino-2-[(2-hydroxycycloheptyl)amino]pyridine-4-carbonitrile?
3-amino-2-[(2-hydroxycycloheptyl)amino]pyridine-4-carbonitrile has a molecular weight of 246.31 g/mol, XLogP of 1.64, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[(2-hydroxycycloheptyl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 113394617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).