6-[(4-hydroxy-3,3-dimethyl-2-phenylbutyl)amino]pyridine-3-carbonitrile

C18H21N3O — CID 133400309

IUPAC6-[(4-hydroxy-3,3-dimethyl-2-phenylbutyl)amino]pyridine-3-carbonitrile
SMILESCC(C)(CO)C(CNc1ccc(C#N)cn1)c1ccccc1
InChIInChI=1S/C18H21N3O/c1-18(2,13-22)16(15-6-4-3-5-7-15)12-21-17-9-8-14(10-19)11-20-17/h3-9,11,16,22H,12-13H2,1-2H3,(H,20,21)
InChIKeyMHTIAOBBSRCTKY-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.17
Rot. Bonds6

About 6-[(4-hydroxy-3,3-dimethyl-2-phenylbutyl)amino]pyridine-3-carbonitrile

6-[(4-hydroxy-3,3-dimethyl-2-phenylbutyl)amino]pyridine-3-carbonitrile (PubChem CID 133400309) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 6-[(4-hydroxy-3,3-dimethyl-2-phenylbutyl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(4-hydroxy-3,3-dimethyl-2-phenylbutyl)amino]pyridine-3-carbonitrile
PubChem CID133400309
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name6-[(4-hydroxy-3,3-dimethyl-2-phenylbutyl)amino]pyridine-3-carbonitrile
SMILESCC(C)(CO)C(CNc1ccc(C#N)cn1)c1ccccc1
InChIInChI=1S/C18H21N3O/c1-18(2,13-22)16(15-6-4-3-5-7-15)12-21-17-9-8-14(10-19)11-20-17/h3-9,11,16,22H,12-13H2,1-2H3,(H,20,21)
InChIKeyMHTIAOBBSRCTKY-UHFFFAOYSA-N
XLogP3.17
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[(4-hydroxy-3,3-dimethyl-2-phenylbutyl)amino]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]amino]-2-[[4-(trifluoromethyl)pyridin-3-yl]methylamino]pyrimidine-5-carbonitrile
CID 118179300
2-Amino-4-(((1-(hydroxymethyl)-3-(2-phenylethyl)cyclobutyl)methyl)amino)-5-pyrimidinecarbonitrile
CID 385200
2-(4-Butan-2-ylanilino)-3-pyridinecarbonitrile
CID 11842297
4-[[(1S,4S)-4-hydroxy-3,3-dimethylcyclohexyl]amino]-6-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile
CID 164610202
4-[[(1S,4R)-4-hydroxy-3,3-dimethylcyclohexyl]amino]-6-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile
CID 164611084
4-[(4-Hydroxy-3,3,5,5-tetramethylcyclohexyl)amino]-6-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile
CID 164612419
4-[[(1R,4R)-4-hydroxy-3,3-dimethylcyclohexyl]amino]-6-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile
CID 164616839
4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]amino]-6-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile
CID 164619093
2-[(1-Phenylethyl)amino]nicotinonitrile
CID 14975303
2-[(2-Hydroxyethyl)amino]pyridine-3-carbonitrile
CID 17860931
3-[6-(Methylamino)-3-pyridinyl]benzonitrile
CID 49786919
2-Amino-6-(2-hydroxyethylamino)-4-pyridin-3-ylpyridine-3,5-dicarbonitrile
CID 155551596

Frequently Asked Questions

What is the IUPAC name of 6-[(4-hydroxy-3,3-dimethyl-2-phenylbutyl)amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[(4-hydroxy-3,3-dimethyl-2-phenylbutyl)amino]pyridine-3-carbonitrile (CID 133400309) is 6-[(4-hydroxy-3,3-dimethyl-2-phenylbutyl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(4-hydroxy-3,3-dimethyl-2-phenylbutyl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(4-hydroxy-3,3-dimethyl-2-phenylbutyl)amino]pyridine-3-carbonitrile is CC(C)(CO)C(CNc1ccc(C#N)cn1)c1ccccc1.
What is the InChIKey of 6-[(4-hydroxy-3,3-dimethyl-2-phenylbutyl)amino]pyridine-3-carbonitrile?
The InChIKey is MHTIAOBBSRCTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-18(2,13-22)16(15-6-4-3-5-7-15)12-21-17-9-8-14(10-19)11-20-17/h3-9,11,16,22H,12-13H2,1-2H3,(H,20,21).
What are the key properties of 6-[(4-hydroxy-3,3-dimethyl-2-phenylbutyl)amino]pyridine-3-carbonitrile?
6-[(4-hydroxy-3,3-dimethyl-2-phenylbutyl)amino]pyridine-3-carbonitrile has a molecular weight of 295.39 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-hydroxy-3,3-dimethyl-2-phenylbutyl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 133400309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).