6-[[(2R)-2-[(4-fluorophenyl)methyl]-3-hydroxypropyl]amino]pyridine-3-carbonitrile

C16H16FN3O — CID 94819702

IUPAC6-[[(2R)-2-[(4-fluorophenyl)methyl]-3-hydroxypropyl]amino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NC[C@H](CO)Cc2ccc(F)cc2)nc1
InChIInChI=1S/C16H16FN3O/c17-15-4-1-12(2-5-15)7-14(11-21)10-20-16-6-3-13(8-18)9-19-16/h1-6,9,14,21H,7,10-11H2,(H,19,20)/t14-/m1/s1
InChIKeyWQZGCATVSJIOSH-CQSZACIVSA-N
MW285.32 g/mol
LogP2.36
Rot. Bonds6

About 6-[[(2R)-2-[(4-fluorophenyl)methyl]-3-hydroxypropyl]amino]pyridine-3-carbonitrile

6-[[(2R)-2-[(4-fluorophenyl)methyl]-3-hydroxypropyl]amino]pyridine-3-carbonitrile (PubChem CID 94819702) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 6-[[(2R)-2-[(4-fluorophenyl)methyl]-3-hydroxypropyl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[(2R)-2-[(4-fluorophenyl)methyl]-3-hydroxypropyl]amino]pyridine-3-carbonitrile
PubChem CID94819702
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name6-[[(2R)-2-[(4-fluorophenyl)methyl]-3-hydroxypropyl]amino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NC[C@H](CO)Cc2ccc(F)cc2)nc1
InChIInChI=1S/C16H16FN3O/c17-15-4-1-12(2-5-15)7-14(11-21)10-20-16-6-3-13(8-18)9-19-16/h1-6,9,14,21H,7,10-11H2,(H,19,20)/t14-/m1/s1
InChIKeyWQZGCATVSJIOSH-CQSZACIVSA-N
XLogP2.36
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-cyano-2-pyridinyl)amino]-2-hydroxypropanamide
CID 107257703
6-[[4-(difluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile
CID 133474689
1-(5-cyano-2-pyridinyl)-3-[(4-fluorophenyl)methyl]urea
CID 121004595
6-[[(2S)-2-hydroxy-3,3-dimethylbutyl]amino]pyridine-3-carbonitrile
CID 95623512
6-[(4-hydroxy-3,3-dimethyl-2-phenylbutyl)amino]pyridine-3-carbonitrile
CID 133400309
6-[[2-cyclohexyl-2-(dimethylamino)ethyl]amino]pyridine-3-carbonitrile
CID 60502185
6-[(2-amino-3-hydroxybutyl)amino]pyridine-3-carbonitrile
CID 64541282
6-[(3-ethyl-2-hydroxypentyl)amino]pyridine-3-carbonitrile
CID 113234230
(2R)-2-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-3-(4-fluorophenyl)propan-1-ol
CID 51984130
N-(4-cyanophenyl)-6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide
CID 109158680
6-[2-(2,4-difluorophenyl)ethylamino]pyridine-3-carbonitrile
CID 133302426
2-amino-3-[(5-fluoro-2-pyridinyl)amino]propan-1-ol
CID 131123311

Frequently Asked Questions

What is the IUPAC name of 6-[[(2R)-2-[(4-fluorophenyl)methyl]-3-hydroxypropyl]amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[[(2R)-2-[(4-fluorophenyl)methyl]-3-hydroxypropyl]amino]pyridine-3-carbonitrile (CID 94819702) is 6-[[(2R)-2-[(4-fluorophenyl)methyl]-3-hydroxypropyl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[(2R)-2-[(4-fluorophenyl)methyl]-3-hydroxypropyl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[(2R)-2-[(4-fluorophenyl)methyl]-3-hydroxypropyl]amino]pyridine-3-carbonitrile is N#Cc1ccc(NC[C@H](CO)Cc2ccc(F)cc2)nc1.
What is the InChIKey of 6-[[(2R)-2-[(4-fluorophenyl)methyl]-3-hydroxypropyl]amino]pyridine-3-carbonitrile?
The InChIKey is WQZGCATVSJIOSH-CQSZACIVSA-N. The full InChI is InChI=1S/C16H16FN3O/c17-15-4-1-12(2-5-15)7-14(11-21)10-20-16-6-3-13(8-18)9-19-16/h1-6,9,14,21H,7,10-11H2,(H,19,20)/t14-/m1/s1.
What are the key properties of 6-[[(2R)-2-[(4-fluorophenyl)methyl]-3-hydroxypropyl]amino]pyridine-3-carbonitrile?
6-[[(2R)-2-[(4-fluorophenyl)methyl]-3-hydroxypropyl]amino]pyridine-3-carbonitrile has a molecular weight of 285.32 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2R)-2-[(4-fluorophenyl)methyl]-3-hydroxypropyl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 94819702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).