2-[(3-hydroxycyclopentyl)methylamino]-4-methylpyridine-3-carbonitrile

C13H17N3O — CID 103269649

IUPAC2-[(3-hydroxycyclopentyl)methylamino]-4-methylpyridine-3-carbonitrile
SMILESCc1ccnc(NCC2CCC(O)C2)c1C#N
InChIInChI=1S/C13H17N3O/c1-9-4-5-15-13(12(9)7-14)16-8-10-2-3-11(17)6-10/h4-5,10-11,17H,2-3,6,8H2,1H3,(H,15,16)
InChIKeyJEGHYCGSJYFAOU-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.83
Rot. Bonds3

About 2-[(3-hydroxycyclopentyl)methylamino]-4-methylpyridine-3-carbonitrile

2-[(3-hydroxycyclopentyl)methylamino]-4-methylpyridine-3-carbonitrile (PubChem CID 103269649) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[(3-hydroxycyclopentyl)methylamino]-4-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(3-hydroxycyclopentyl)methylamino]-4-methylpyridine-3-carbonitrile
PubChem CID103269649
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-[(3-hydroxycyclopentyl)methylamino]-4-methylpyridine-3-carbonitrile
SMILESCc1ccnc(NCC2CCC(O)C2)c1C#N
InChIInChI=1S/C13H17N3O/c1-9-4-5-15-13(12(9)7-14)16-8-10-2-3-11(17)6-10/h4-5,10-11,17H,2-3,6,8H2,1H3,(H,15,16)
InChIKeyJEGHYCGSJYFAOU-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-hydroxycyclohexyl)methylamino]-4-methylpyridine-3-carboxylic acid
CID 114148584
2-[2-(cycloheptylamino)ethylamino]-4-methylpyridine-3-carbonitrile
CID 115306682
N-[2-[(3-cyano-4-methyl-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide
CID 113412171
2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-4-methylpyridine-3-carbonitrile
CID 115455046
2-[(3-hydroxycyclohexyl)methylamino]-6-methylpyridine-3-carbonitrile
CID 103878080
3-[(3-hydroxycyclobutyl)methylamino]pyrazine-2-carbonitrile
CID 66005273
4-methyl-2-(4,4,4-trifluorobutylamino)pyridine-3-carbonitrile
CID 113327555
methyl 2-[(3-hydroxycyclopentyl)methylamino]pyridine-3-carboxylate
CID 103269706
4-methyl-2-[(1-methylsulfanylcyclopropyl)methylamino]pyridine-3-carbonitrile
CID 107268914
2-(4-hydroxypentylamino)-4-methylpyridine-3-carbonitrile
CID 107269156
2-[(3-hydroxycyclopentyl)methylamino]-6-methylpyridine-3-carboxylic acid
CID 106137549
3-[[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 106138103

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxycyclopentyl)methylamino]-4-methylpyridine-3-carbonitrile?
The IUPAC name of 2-[(3-hydroxycyclopentyl)methylamino]-4-methylpyridine-3-carbonitrile (CID 103269649) is 2-[(3-hydroxycyclopentyl)methylamino]-4-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[(3-hydroxycyclopentyl)methylamino]-4-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-[(3-hydroxycyclopentyl)methylamino]-4-methylpyridine-3-carbonitrile is Cc1ccnc(NCC2CCC(O)C2)c1C#N.
What is the InChIKey of 2-[(3-hydroxycyclopentyl)methylamino]-4-methylpyridine-3-carbonitrile?
The InChIKey is JEGHYCGSJYFAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9-4-5-15-13(12(9)7-14)16-8-10-2-3-11(17)6-10/h4-5,10-11,17H,2-3,6,8H2,1H3,(H,15,16).
What are the key properties of 2-[(3-hydroxycyclopentyl)methylamino]-4-methylpyridine-3-carbonitrile?
2-[(3-hydroxycyclopentyl)methylamino]-4-methylpyridine-3-carbonitrile has a molecular weight of 231.30 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxycyclopentyl)methylamino]-4-methylpyridine-3-carbonitrile is sourced from PubChem (CID 103269649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).