5-[(3-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile

C10H13N3O — CID 79839884

IUPAC5-[(3-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile
SMILESCC(CO)CNc1ccc(C#N)nc1
InChIInChI=1S/C10H13N3O/c1-8(7-14)5-12-10-3-2-9(4-11)13-6-10/h2-3,6,8,12,14H,5,7H2,1H3
InChIKeyWOUPJMANSXPEFX-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.99
Rot. Bonds4

About 5-[(3-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile

5-[(3-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile (PubChem CID 79839884) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 5-[(3-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[(3-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile
PubChem CID79839884
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name5-[(3-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile
SMILESCC(CO)CNc1ccc(C#N)nc1
InChIInChI=1S/C10H13N3O/c1-8(7-14)5-12-10-3-2-9(4-11)13-6-10/h2-3,6,8,12,14H,5,7H2,1H3
InChIKeyWOUPJMANSXPEFX-UHFFFAOYSA-N
XLogP0.99
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-hydroxy-4-methylpentyl)amino]pyridine-2-carbonitrile
CID 103736448
5-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-2-carbonitrile
CID 79839810
5-(2-methylsulfinylpropylamino)pyridine-2-carbonitrile
CID 115764283
5-(2,2,3-trimethylbutylamino)pyridine-2-carbonitrile
CID 102609041
5-[[(2R)-2-methyl-3-pyrazol-1-ylpropyl]amino]pyridine-2-carbonitrile
CID 97119021
5-[[2-(dimethylamino)-4-methylpentyl]amino]pyridine-2-carbonitrile
CID 133334959
5-(butan-2-ylamino)pyridine-2-carbonitrile
CID 79839653
5-(2-methylprop-2-enylamino)pyridine-2-carbonitrile
CID 114617316
5-[(1-methylcyclopropyl)methylamino]pyridine-2-carbonitrile
CID 103736721
6-[[(2R)-3-hydroxy-2-methylpropyl]amino]isoquinoline-1-carbonitrile
CID 129387206
(3R)-5-[(6-cyano-3-pyridinyl)amino]-3-methyl-5-oxopentanoic acid
CID 129392453
3-[(6-cyano-3-pyridinyl)amino]butanamide
CID 115685029

Frequently Asked Questions

What is the IUPAC name of 5-[(3-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile?
The IUPAC name of 5-[(3-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile (CID 79839884) is 5-[(3-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[(3-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[(3-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile is CC(CO)CNc1ccc(C#N)nc1.
What is the InChIKey of 5-[(3-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile?
The InChIKey is WOUPJMANSXPEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-8(7-14)5-12-10-3-2-9(4-11)13-6-10/h2-3,6,8,12,14H,5,7H2,1H3.
What are the key properties of 5-[(3-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile?
5-[(3-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile has a molecular weight of 191.23 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 79839884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).