5-[[(1R,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]pyridine-2-carbonitrile

C13H17N3O — CID 99848392

IUPAC5-[[(1R,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]pyridine-2-carbonitrile
SMILESC[C@]1(CO)CCC[C@H]1Nc1ccc(C#N)nc1
InChIInChI=1S/C13H17N3O/c1-13(9-17)6-2-3-12(13)16-11-5-4-10(7-14)15-8-11/h4-5,8,12,16-17H,2-3,6,9H2,1H3/t12-,13-/m1/s1
InChIKeyQOZJNERDZMRYQU-CHWSQXEVSA-N
MW231.30 g/mol
LogP1.92
Rot. Bonds3

About 5-[[(1R,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]pyridine-2-carbonitrile

5-[[(1R,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]pyridine-2-carbonitrile (PubChem CID 99848392) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 5-[[(1R,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[[(1R,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]pyridine-2-carbonitrile
PubChem CID99848392
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name5-[[(1R,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]pyridine-2-carbonitrile
SMILESC[C@]1(CO)CCC[C@H]1Nc1ccc(C#N)nc1
InChIInChI=1S/C13H17N3O/c1-13(9-17)6-2-3-12(13)16-11-5-4-10(7-14)15-8-11/h4-5,8,12,16-17H,2-3,6,9H2,1H3/t12-,13-/m1/s1
InChIKeyQOZJNERDZMRYQU-CHWSQXEVSA-N
XLogP1.92
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Cyclohexyl-3-[(5-methyl-2-pyridinyl)methylamino]propan-1-ol
CID 84595291
3-((1-(Pyridin-2-yl)ethyl)amino)propan-1-ol
CID 2772086
(1-(((3-Amino-2-pyridinyl)amino)methyl)cyclopentyl)methanol
CID 385300
5-[(4-Hydroxycyclohexyl)amino]pyridine-2-carbonitrile
CID 79839194
5-[[1-(2-Methoxyethyl)cyclopentyl]methylamino]pyridine-2-carbonitrile
CID 86779192
5-[(1-Hydroxycyclopentyl)methyl-methylamino]pyridine-2-carbonitrile
CID 86781572
5-[1-(Oxan-3-yl)ethylamino]pyridine-2-carbonitrile
CID 86785465
3-[(3-Methoxy-2,2-dimethylcyclobutyl)amino]pyridine-2-carbonitrile
CID 114119321
5-[(2-Propan-2-yloxan-3-yl)methylamino]pyridine-2-carbonitrile
CID 136513353
3-[[1-[(1S)-1-hydroxy-2-methylpropyl]cyclopropyl]methylamino]pyridine-2-carbonitrile
CID 164632824
[(1R,2R)-2-[[6-(trifluoromethyl)-3-pyridinyl]amino]cyclohexyl]methanol
CID 89563380
(2R)-3-methyl-2-(pyridin-2-ylmethylamino)butan-1-ol
CID 642217

Frequently Asked Questions

What is the IUPAC name of 5-[[(1R,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]pyridine-2-carbonitrile?
The IUPAC name of 5-[[(1R,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]pyridine-2-carbonitrile (CID 99848392) is 5-[[(1R,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[[(1R,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[[(1R,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]pyridine-2-carbonitrile is C[C@]1(CO)CCC[C@H]1Nc1ccc(C#N)nc1.
What is the InChIKey of 5-[[(1R,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]pyridine-2-carbonitrile?
The InChIKey is QOZJNERDZMRYQU-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H17N3O/c1-13(9-17)6-2-3-12(13)16-11-5-4-10(7-14)15-8-11/h4-5,8,12,16-17H,2-3,6,9H2,1H3/t12-,13-/m1/s1.
What are the key properties of 5-[[(1R,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]pyridine-2-carbonitrile?
5-[[(1R,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]pyridine-2-carbonitrile has a molecular weight of 231.30 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1R,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 99848392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).