5-[(2-hydroxy-4-methylpentyl)amino]pyridine-2-carbonitrile

C12H17N3O — CID 103736448

IUPAC5-[(2-hydroxy-4-methylpentyl)amino]pyridine-2-carbonitrile
SMILESCC(C)CC(O)CNc1ccc(C#N)nc1
InChIInChI=1S/C12H17N3O/c1-9(2)5-12(16)8-15-11-4-3-10(6-13)14-7-11/h3-4,7,9,12,15-16H,5,8H2,1-2H3
InChIKeyCWMHLQGMZYTGIX-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.77
Rot. Bonds5

About 5-[(2-hydroxy-4-methylpentyl)amino]pyridine-2-carbonitrile

5-[(2-hydroxy-4-methylpentyl)amino]pyridine-2-carbonitrile (PubChem CID 103736448) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 5-[(2-hydroxy-4-methylpentyl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[(2-hydroxy-4-methylpentyl)amino]pyridine-2-carbonitrile
PubChem CID103736448
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name5-[(2-hydroxy-4-methylpentyl)amino]pyridine-2-carbonitrile
SMILESCC(C)CC(O)CNc1ccc(C#N)nc1
InChIInChI=1S/C12H17N3O/c1-9(2)5-12(16)8-15-11-4-3-10(6-13)14-7-11/h3-4,7,9,12,15-16H,5,8H2,1-2H3
InChIKeyCWMHLQGMZYTGIX-UHFFFAOYSA-N
XLogP1.77
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-(dimethylamino)-4-methylpentyl]amino]pyridine-2-carbonitrile
CID 133334959
5-[(3-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile
CID 79839884
5-(2-methylsulfinylpropylamino)pyridine-2-carbonitrile
CID 115764283
5-(2,2,3-trimethylbutylamino)pyridine-2-carbonitrile
CID 102609041
5-(butan-2-ylamino)pyridine-2-carbonitrile
CID 79839653
5-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-2-carbonitrile
CID 79839810
4-methyl-1-(pyridin-4-ylamino)pentan-2-ol
CID 107153295
5-(2-methylprop-2-enylamino)pyridine-2-carbonitrile
CID 114617316
5-[1-(diethylamino)propan-2-ylamino]pyridine-2-carbonitrile
CID 79839031
5-[[(2R)-2-methyl-3-pyrazol-1-ylpropyl]amino]pyridine-2-carbonitrile
CID 97119021
1-[(5-fluoro-2-pyridinyl)amino]-4-methylpentan-2-ol
CID 107153298
3-[(6-cyano-3-pyridinyl)amino]butanamide
CID 115685029

Frequently Asked Questions

What is the IUPAC name of 5-[(2-hydroxy-4-methylpentyl)amino]pyridine-2-carbonitrile?
The IUPAC name of 5-[(2-hydroxy-4-methylpentyl)amino]pyridine-2-carbonitrile (CID 103736448) is 5-[(2-hydroxy-4-methylpentyl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[(2-hydroxy-4-methylpentyl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[(2-hydroxy-4-methylpentyl)amino]pyridine-2-carbonitrile is CC(C)CC(O)CNc1ccc(C#N)nc1.
What is the InChIKey of 5-[(2-hydroxy-4-methylpentyl)amino]pyridine-2-carbonitrile?
The InChIKey is CWMHLQGMZYTGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9(2)5-12(16)8-15-11-4-3-10(6-13)14-7-11/h3-4,7,9,12,15-16H,5,8H2,1-2H3.
What are the key properties of 5-[(2-hydroxy-4-methylpentyl)amino]pyridine-2-carbonitrile?
5-[(2-hydroxy-4-methylpentyl)amino]pyridine-2-carbonitrile has a molecular weight of 219.29 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-hydroxy-4-methylpentyl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 103736448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).