2-[(3R,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile

C15H21N3O2 — CID 133118044

IUPAC2-[(3R,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile
SMILESCC(C)c1ccc(C#N)c(N2CC[C@@](C)(O)[C@H](O)C2)n1
InChIInChI=1S/C15H21N3O2/c1-10(2)12-5-4-11(8-16)14(17-12)18-7-6-15(3,20)13(19)9-18/h4-5,10,13,19-20H,6-7,9H2,1-3H3/t13-,15-/m1/s1
InChIKeyIXGGZFRVRPWLKJ-UKRRQHHQSA-N
MW275.35 g/mol
LogP1.40
Rot. Bonds2

About 2-[(3R,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile

2-[(3R,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile (PubChem CID 133118044) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[(3R,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(3R,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile
PubChem CID133118044
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[(3R,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile
SMILESCC(C)c1ccc(C#N)c(N2CC[C@@](C)(O)[C@H](O)C2)n1
InChIInChI=1S/C15H21N3O2/c1-10(2)12-5-4-11(8-16)14(17-12)18-7-6-15(3,20)13(19)9-18/h4-5,10,13,19-20H,6-7,9H2,1-3H3/t13-,15-/m1/s1
InChIKeyIXGGZFRVRPWLKJ-UKRRQHHQSA-N
XLogP1.40
TPSA80.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(3R,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-6-propan-2-ylpyridine-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

2-[(5S)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]-6-propan-2-ylpyridine-3-carbonitrile
CID 97133287
2-[(3S)-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-6-propan-2-ylpyridine-3-carbonitrile
CID 126453572
6-propan-2-yl-2-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]pyridine-3-carbonitrile
CID 138380088
2-[(5R)-7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-6-propan-2-ylpyridine-3-carbonitrile
CID 97149850
6-[(3R)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-2-[(3S)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 124868275
2-(4-hydroxy-4-methylazepan-1-yl)-6-methylpyridine-3-carbonitrile
CID 107404520
(3S,4S)-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-methylpiperidine-3,4-diol
CID 74232019
2-(8-azaspiro[4.5]decan-8-yl)-6-methylpyridine-3-carbonitrile
CID 55159875
2-(3-propan-2-ylpyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 115689794
2-(4-hydroxy-4-methylazepan-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 107404487
[1-(3-cyano-6-methyl-2-pyridinyl)pyrrolidin-3-yl] hypofluorite;ethane
CID 144625430
2-[1-(3-cyano-6-methyl-2-pyridinyl)azetidin-3-yl]propanoic acid
CID 116681931

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile?
The IUPAC name of 2-[(3R,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile (CID 133118044) is 2-[(3R,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[(3R,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-[(3R,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile is CC(C)c1ccc(C#N)c(N2CC[C@@](C)(O)[C@H](O)C2)n1.
What is the InChIKey of 2-[(3R,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile?
The InChIKey is IXGGZFRVRPWLKJ-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10(2)12-5-4-11(8-16)14(17-12)18-7-6-15(3,20)13(19)9-18/h4-5,10,13,19-20H,6-7,9H2,1-3H3/t13-,15-/m1/s1.
What are the key properties of 2-[(3R,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile?
2-[(3R,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile has a molecular weight of 275.35 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 133118044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).