2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]pyridine-4-carbonitrile

C11H15N3O2 — CID 107865845

IUPAC2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]pyridine-4-carbonitrile
SMILESCCC(CO)(CO)Nc1cc(C#N)ccn1
InChIInChI=1S/C11H15N3O2/c1-2-11(7-15,8-16)14-10-5-9(6-12)3-4-13-10/h3-5,15-16H,2,7-8H2,1H3,(H,13,14)
InChIKeyJYSQPEXBYRCTSK-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.50
Rot. Bonds5

About 2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]pyridine-4-carbonitrile

2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]pyridine-4-carbonitrile (PubChem CID 107865845) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]pyridine-4-carbonitrile
PubChem CID107865845
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]pyridine-4-carbonitrile
SMILESCCC(CO)(CO)Nc1cc(C#N)ccn1
InChIInChI=1S/C11H15N3O2/c1-2-11(7-15,8-16)14-10-5-9(6-12)3-4-13-10/h3-5,15-16H,2,7-8H2,1H3,(H,13,14)
InChIKeyJYSQPEXBYRCTSK-UHFFFAOYSA-N
XLogP0.50
TPSA89.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methylbutan-2-ylamino)pyridine-4-carbonitrile
CID 24702082
2-(3-methylpentan-3-ylamino)pyridine-4-carbonitrile
CID 106328947
2-[(4-amino-2-pyridinyl)amino]-2-ethylpropane-1,3-diol
CID 107864663
3-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]benzonitrile
CID 107865827
2-ethyl-2-[(4-nitro-2-pyridinyl)amino]propane-1,3-diol
CID 107866257
methyl 2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]pyridine-4-carboxylate
CID 114075125
5-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]pyrazine-2-carbonitrile
CID 107865811
2-(2-hydroxyethylamino)pyridine-4-carbonitrile
CID 22309035
2-ethyl-2-[(2-hydrazinylpyrimidin-4-yl)amino]propane-1,3-diol
CID 107868726
2-[(2-amino-2-methylpropyl)amino]pyridine-4-carbonitrile
CID 115303626
2-[(6-chloropyrimidin-4-yl)amino]-2-ethylpropane-1,3-diol
CID 107866444
4-[[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]methyl]pyridine-2-carbonitrile
CID 107865267

Frequently Asked Questions

What is the IUPAC name of 2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]pyridine-4-carbonitrile?
The IUPAC name of 2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]pyridine-4-carbonitrile (CID 107865845) is 2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]pyridine-4-carbonitrile?
The canonical SMILES for 2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]pyridine-4-carbonitrile is CCC(CO)(CO)Nc1cc(C#N)ccn1.
What is the InChIKey of 2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]pyridine-4-carbonitrile?
The InChIKey is JYSQPEXBYRCTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-2-11(7-15,8-16)14-10-5-9(6-12)3-4-13-10/h3-5,15-16H,2,7-8H2,1H3,(H,13,14).
What are the key properties of 2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]pyridine-4-carbonitrile?
2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]pyridine-4-carbonitrile has a molecular weight of 221.26 g/mol, XLogP of 0.50, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]pyridine-4-carbonitrile is sourced from PubChem (CID 107865845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).