5-[(1-hydroxycyclopentyl)methyl-methylamino]pyridine-2-carbonitrile

C13H17N3O — CID 86781572

IUPAC5-[(1-hydroxycyclopentyl)methyl-methylamino]pyridine-2-carbonitrile
SMILESCN(CC1(O)CCCC1)c1ccc(C#N)nc1
InChIInChI=1S/C13H17N3O/c1-16(10-13(17)6-2-3-7-13)12-5-4-11(8-14)15-9-12/h4-5,9,17H,2-3,6-7,10H2,1H3
InChIKeyOGYBGYDXTFUGIN-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.69
Rot. Bonds3

About 5-[(1-hydroxycyclopentyl)methyl-methylamino]pyridine-2-carbonitrile

5-[(1-hydroxycyclopentyl)methyl-methylamino]pyridine-2-carbonitrile (PubChem CID 86781572) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 5-[(1-hydroxycyclopentyl)methyl-methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[(1-hydroxycyclopentyl)methyl-methylamino]pyridine-2-carbonitrile
PubChem CID86781572
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name5-[(1-hydroxycyclopentyl)methyl-methylamino]pyridine-2-carbonitrile
SMILESCN(CC1(O)CCCC1)c1ccc(C#N)nc1
InChIInChI=1S/C13H17N3O/c1-16(10-13(17)6-2-3-7-13)12-5-4-11(8-14)15-9-12/h4-5,9,17H,2-3,6-7,10H2,1H3
InChIKeyOGYBGYDXTFUGIN-UHFFFAOYSA-N
XLogP1.69
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-hydroxycyclopentyl)methyl-methylamino]pyridine-2-carbonitrile?
The IUPAC name of 5-[(1-hydroxycyclopentyl)methyl-methylamino]pyridine-2-carbonitrile (CID 86781572) is 5-[(1-hydroxycyclopentyl)methyl-methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[(1-hydroxycyclopentyl)methyl-methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[(1-hydroxycyclopentyl)methyl-methylamino]pyridine-2-carbonitrile is CN(CC1(O)CCCC1)c1ccc(C#N)nc1.
What is the InChIKey of 5-[(1-hydroxycyclopentyl)methyl-methylamino]pyridine-2-carbonitrile?
The InChIKey is OGYBGYDXTFUGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-16(10-13(17)6-2-3-7-13)12-5-4-11(8-14)15-9-12/h4-5,9,17H,2-3,6-7,10H2,1H3.
What are the key properties of 5-[(1-hydroxycyclopentyl)methyl-methylamino]pyridine-2-carbonitrile?
5-[(1-hydroxycyclopentyl)methyl-methylamino]pyridine-2-carbonitrile has a molecular weight of 231.30 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-hydroxycyclopentyl)methyl-methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 86781572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).