2-[2-hydroxy-3-[(2-methyl-4-phenylbutan-2-yl)amino]propoxy]pyridine-3-carbonitrile

C20H25N3O2 — CID 13030669

IUPAC2-[2-hydroxy-3-[(2-methyl-4-phenylbutan-2-yl)amino]propoxy]pyridine-3-carbonitrile
SMILESCC(C)(CCc1ccccc1)NCC(O)COc1ncccc1C#N
InChIInChI=1S/C20H25N3O2/c1-20(2,11-10-16-7-4-3-5-8-16)23-14-18(24)15-25-19-17(13-21)9-6-12-22-19/h3-9,12,18,23-24H,10-11,14-15H2,1-2H3
InChIKeyHXUMPJDUWYMNBW-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.69
Rot. Bonds9

About 2-[2-hydroxy-3-[(2-methyl-4-phenylbutan-2-yl)amino]propoxy]pyridine-3-carbonitrile

2-[2-hydroxy-3-[(2-methyl-4-phenylbutan-2-yl)amino]propoxy]pyridine-3-carbonitrile (PubChem CID 13030669) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-[2-hydroxy-3-[(2-methyl-4-phenylbutan-2-yl)amino]propoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[2-hydroxy-3-[(2-methyl-4-phenylbutan-2-yl)amino]propoxy]pyridine-3-carbonitrile
PubChem CID13030669
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2-[2-hydroxy-3-[(2-methyl-4-phenylbutan-2-yl)amino]propoxy]pyridine-3-carbonitrile
SMILESCC(C)(CCc1ccccc1)NCC(O)COc1ncccc1C#N
InChIInChI=1S/C20H25N3O2/c1-20(2,11-10-16-7-4-3-5-8-16)23-14-18(24)15-25-19-17(13-21)9-6-12-22-19/h3-9,12,18,23-24H,10-11,14-15H2,1-2H3
InChIKeyHXUMPJDUWYMNBW-UHFFFAOYSA-N
XLogP2.69
TPSA78.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-methyl-4-phenylbutan-2-yl)amino]-3-pyridin-4-yloxypropan-2-ol
CID 12855748
2-[2-hydroxy-3-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]propoxy]pyridine-3-carbonitrile
CID 154094807
(Z)-but-2-enedioic acid;2-[(2S)-2-hydroxy-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propoxy]pyridine-3-carbonitrile
CID 70587092
2-(2,3-dihydroxypropoxy)pyridine-3-carbonitrile
CID 12529033
3-[(2-methyl-4-phenylbutan-2-yl)amino]propane-1,2-diol
CID 12855751
2-phenylmethoxypyridine-3-carbonitrile
CID 12604511
2-[(2R)-3-(tert-butylamino)-2-hydroxypropoxy]benzonitrile;hydrochloride
CID 76967522
2-hydroxybenzoic acid;2-[4-[2-[[(2S)-2-hydroxy-3-(2-thiophen-2-ylphenoxy)propyl]amino]-2-methylpropyl]phenoxy]pyridine-3-carbonitrile
CID 161478281
2-(3,3-dimethylbutoxy)pyridine-3-carbonitrile
CID 66231573
2-[(2-methyl-4-phenylbutan-2-yl)amino]-1-phenylethanol
CID 115690807
2-[2-hydroxy-3-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]propoxy]benzonitrile
CID 106190130
2-[3-[(2S)-3-hydroxy-2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]propyl]phenoxy]pyridine-3-carbonitrile
CID 57144622

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-3-[(2-methyl-4-phenylbutan-2-yl)amino]propoxy]pyridine-3-carbonitrile?
The IUPAC name of 2-[2-hydroxy-3-[(2-methyl-4-phenylbutan-2-yl)amino]propoxy]pyridine-3-carbonitrile (CID 13030669) is 2-[2-hydroxy-3-[(2-methyl-4-phenylbutan-2-yl)amino]propoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[2-hydroxy-3-[(2-methyl-4-phenylbutan-2-yl)amino]propoxy]pyridine-3-carbonitrile?
The canonical SMILES for 2-[2-hydroxy-3-[(2-methyl-4-phenylbutan-2-yl)amino]propoxy]pyridine-3-carbonitrile is CC(C)(CCc1ccccc1)NCC(O)COc1ncccc1C#N.
What is the InChIKey of 2-[2-hydroxy-3-[(2-methyl-4-phenylbutan-2-yl)amino]propoxy]pyridine-3-carbonitrile?
The InChIKey is HXUMPJDUWYMNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-20(2,11-10-16-7-4-3-5-8-16)23-14-18(24)15-25-19-17(13-21)9-6-12-22-19/h3-9,12,18,23-24H,10-11,14-15H2,1-2H3.
What are the key properties of 2-[2-hydroxy-3-[(2-methyl-4-phenylbutan-2-yl)amino]propoxy]pyridine-3-carbonitrile?
2-[2-hydroxy-3-[(2-methyl-4-phenylbutan-2-yl)amino]propoxy]pyridine-3-carbonitrile has a molecular weight of 339.44 g/mol, XLogP of 2.69, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-3-[(2-methyl-4-phenylbutan-2-yl)amino]propoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 13030669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).