5-[4-[(2S,3R)-3-methyloxolane-2-carbonyl]piperazin-1-yl]pyridine-2-carbonitrile

C16H20N4O2 — CID 167910514

IUPAC5-[4-[(2S,3R)-3-methyloxolane-2-carbonyl]piperazin-1-yl]pyridine-2-carbonitrile
SMILESC[C@@H]1CCO[C@@H]1C(=O)N1CCN(c2ccc(C#N)nc2)CC1
InChIInChI=1S/C16H20N4O2/c1-12-4-9-22-15(12)16(21)20-7-5-19(6-8-20)14-3-2-13(10-17)18-11-14/h2-3,11-12,15H,4-9H2,1H3/t12-,15+/m1/s1
InChIKeyQGWUYEKRICTWML-DOMZBBRYSA-N
MW300.36 g/mol
LogP1.03
Rot. Bonds2

About 5-[4-[(2S,3R)-3-methyloxolane-2-carbonyl]piperazin-1-yl]pyridine-2-carbonitrile

5-[4-[(2S,3R)-3-methyloxolane-2-carbonyl]piperazin-1-yl]pyridine-2-carbonitrile (PubChem CID 167910514) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 5-[4-[(2S,3R)-3-methyloxolane-2-carbonyl]piperazin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[4-[(2S,3R)-3-methyloxolane-2-carbonyl]piperazin-1-yl]pyridine-2-carbonitrile
PubChem CID167910514
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name5-[4-[(2S,3R)-3-methyloxolane-2-carbonyl]piperazin-1-yl]pyridine-2-carbonitrile
SMILESC[C@@H]1CCO[C@@H]1C(=O)N1CCN(c2ccc(C#N)nc2)CC1
InChIInChI=1S/C16H20N4O2/c1-12-4-9-22-15(12)16(21)20-7-5-19(6-8-20)14-3-2-13(10-17)18-11-14/h2-3,11-12,15H,4-9H2,1H3/t12-,15+/m1/s1
InChIKeyQGWUYEKRICTWML-DOMZBBRYSA-N
XLogP1.03
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[4-[(2S,3R)-3-methyloxolane-2-carbonyl]piperazin-1-yl]pyridine-2-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

5-(4-methylpiperidin-1-yl)pyridine-2-carbonitrile
CID 79839657
5-[4-[(2R)-2-methylmorpholin-4-yl]piperidin-1-yl]pyridine-2-carbonitrile
CID 97119042
5-[4-(thiomorpholine-4-carbonyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 163356288
5-morpholin-4-ylpyridine-2-carbonitrile
CID 43811106
5-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]pyridine-2-carbonitrile
CID 86778895
2-[1-(6-cyano-3-pyridinyl)piperidin-4-yl]ethyl acetate
CID 101468380
5-[4-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperazin-1-yl]pyridine-2-carbonitrile
CID 97055762
1-(6-cyano-3-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide
CID 163347938
5-(4-propan-2-ylpiperazin-1-yl)pyridine-2-carbonitrile
CID 79839573
2-[4-(6-cyano-3-pyridinyl)piperazin-1-yl]-N-cyclopropylacetamide
CID 133358610
4-(6-cyano-3-pyridinyl)morpholine-2-carbonitrile
CID 79838851
5-(4,4-dimethylazepan-1-yl)pyridine-2-carbonitrile
CID 79839803

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2S,3R)-3-methyloxolane-2-carbonyl]piperazin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 5-[4-[(2S,3R)-3-methyloxolane-2-carbonyl]piperazin-1-yl]pyridine-2-carbonitrile (CID 167910514) is 5-[4-[(2S,3R)-3-methyloxolane-2-carbonyl]piperazin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[4-[(2S,3R)-3-methyloxolane-2-carbonyl]piperazin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[4-[(2S,3R)-3-methyloxolane-2-carbonyl]piperazin-1-yl]pyridine-2-carbonitrile is C[C@@H]1CCO[C@@H]1C(=O)N1CCN(c2ccc(C#N)nc2)CC1.
What is the InChIKey of 5-[4-[(2S,3R)-3-methyloxolane-2-carbonyl]piperazin-1-yl]pyridine-2-carbonitrile?
The InChIKey is QGWUYEKRICTWML-DOMZBBRYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-12-4-9-22-15(12)16(21)20-7-5-19(6-8-20)14-3-2-13(10-17)18-11-14/h2-3,11-12,15H,4-9H2,1H3/t12-,15+/m1/s1.
What are the key properties of 5-[4-[(2S,3R)-3-methyloxolane-2-carbonyl]piperazin-1-yl]pyridine-2-carbonitrile?
5-[4-[(2S,3R)-3-methyloxolane-2-carbonyl]piperazin-1-yl]pyridine-2-carbonitrile has a molecular weight of 300.36 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2S,3R)-3-methyloxolane-2-carbonyl]piperazin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 167910514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).