2-[[(2R,4R)-4-hydroxy-4-phenylbutan-2-yl]amino]pyridine-4-carbonitrile

C16H17N3O — CID 125142292

IUPAC2-[[(2R,4R)-4-hydroxy-4-phenylbutan-2-yl]amino]pyridine-4-carbonitrile
SMILESC[C@H](C[C@@H](O)c1ccccc1)Nc1cc(C#N)ccn1
InChIInChI=1S/C16H17N3O/c1-12(9-15(20)14-5-3-2-4-6-14)19-16-10-13(11-17)7-8-18-16/h2-8,10,12,15,20H,9H2,1H3,(H,18,19)/t12-,15-/m1/s1
InChIKeyUYXQJTIMKSNVDJ-IUODEOHRSA-N
MW267.33 g/mol
LogP2.88
Rot. Bonds5

About 2-[[(2R,4R)-4-hydroxy-4-phenylbutan-2-yl]amino]pyridine-4-carbonitrile

2-[[(2R,4R)-4-hydroxy-4-phenylbutan-2-yl]amino]pyridine-4-carbonitrile (PubChem CID 125142292) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[[(2R,4R)-4-hydroxy-4-phenylbutan-2-yl]amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[[(2R,4R)-4-hydroxy-4-phenylbutan-2-yl]amino]pyridine-4-carbonitrile
PubChem CID125142292
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-[[(2R,4R)-4-hydroxy-4-phenylbutan-2-yl]amino]pyridine-4-carbonitrile
SMILESC[C@H](C[C@@H](O)c1ccccc1)Nc1cc(C#N)ccn1
InChIInChI=1S/C16H17N3O/c1-12(9-15(20)14-5-3-2-4-6-14)19-16-10-13(11-17)7-8-18-16/h2-8,10,12,15,20H,9H2,1H3,(H,18,19)/t12-,15-/m1/s1
InChIKeyUYXQJTIMKSNVDJ-IUODEOHRSA-N
XLogP2.88
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-hydroxy-1-phenylethyl)amino]pyridine-4-carbonitrile
CID 63183198
2-(5-methylhexan-2-ylamino)pyridine-4-carbonitrile
CID 63926299
2-(3-methylbutan-2-ylamino)pyridine-4-carbonitrile
CID 43131440
2-[[2-(diethylamino)-2-phenylethyl]amino]pyridine-4-carbonitrile
CID 43823027
2-(2-methylpropylamino)pyridine-4-carbonitrile
CID 24707878
2-[(4-cyano-2-pyridinyl)amino]butanoic acid
CID 43470148
2-[1-(4-chlorophenyl)ethylamino]pyridine-4-carbonitrile
CID 55021440
2-[4-(4-methylpiperazin-1-yl)butan-2-ylamino]pyridine-4-carbonitrile
CID 136542345
(1S,3R)-1-(furan-2-yl)-3-[(4-methyl-2-pyridinyl)amino]butan-1-ol
CID 100666938
2-anilinopyridine-4-carbonitrile
CID 24696970
2-[[2-methyl-3-(methylamino)propyl]amino]pyridine-4-carbonitrile
CID 115302962
2-(4-methylpentylamino)pyridine-4-carbonitrile
CID 61039208

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R,4R)-4-hydroxy-4-phenylbutan-2-yl]amino]pyridine-4-carbonitrile?
The IUPAC name of 2-[[(2R,4R)-4-hydroxy-4-phenylbutan-2-yl]amino]pyridine-4-carbonitrile (CID 125142292) is 2-[[(2R,4R)-4-hydroxy-4-phenylbutan-2-yl]amino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[[(2R,4R)-4-hydroxy-4-phenylbutan-2-yl]amino]pyridine-4-carbonitrile?
The canonical SMILES for 2-[[(2R,4R)-4-hydroxy-4-phenylbutan-2-yl]amino]pyridine-4-carbonitrile is C[C@H](C[C@@H](O)c1ccccc1)Nc1cc(C#N)ccn1.
What is the InChIKey of 2-[[(2R,4R)-4-hydroxy-4-phenylbutan-2-yl]amino]pyridine-4-carbonitrile?
The InChIKey is UYXQJTIMKSNVDJ-IUODEOHRSA-N. The full InChI is InChI=1S/C16H17N3O/c1-12(9-15(20)14-5-3-2-4-6-14)19-16-10-13(11-17)7-8-18-16/h2-8,10,12,15,20H,9H2,1H3,(H,18,19)/t12-,15-/m1/s1.
What are the key properties of 2-[[(2R,4R)-4-hydroxy-4-phenylbutan-2-yl]amino]pyridine-4-carbonitrile?
2-[[(2R,4R)-4-hydroxy-4-phenylbutan-2-yl]amino]pyridine-4-carbonitrile has a molecular weight of 267.33 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R,4R)-4-hydroxy-4-phenylbutan-2-yl]amino]pyridine-4-carbonitrile is sourced from PubChem (CID 125142292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).