5-[(3S)-3-methylpiperazin-1-yl]pyridine-2-carbonitrile

C11H14N4 — CID 104977608

IUPAC5-[(3S)-3-methylpiperazin-1-yl]pyridine-2-carbonitrile
SMILESC[C@H]1CN(c2ccc(C#N)nc2)CCN1
InChIInChI=1S/C11H14N4/c1-9-8-15(5-4-13-9)11-3-2-10(6-12)14-7-11/h2-3,7,9,13H,4-5,8H2,1H3/t9-/m0/s1
InChIKeyWMXLYOHFDKCFFZ-VIFPVBQESA-N
MW202.26 g/mol
LogP0.75
Rot. Bonds1

About 5-[(3S)-3-methylpiperazin-1-yl]pyridine-2-carbonitrile

5-[(3S)-3-methylpiperazin-1-yl]pyridine-2-carbonitrile (PubChem CID 104977608) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 5-[(3S)-3-methylpiperazin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[(3S)-3-methylpiperazin-1-yl]pyridine-2-carbonitrile
PubChem CID104977608
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name5-[(3S)-3-methylpiperazin-1-yl]pyridine-2-carbonitrile
SMILESC[C@H]1CN(c2ccc(C#N)nc2)CCN1
InChIInChI=1S/C11H14N4/c1-9-8-15(5-4-13-9)11-3-2-10(6-12)14-7-11/h2-3,7,9,13H,4-5,8H2,1H3/t9-/m0/s1
InChIKeyWMXLYOHFDKCFFZ-VIFPVBQESA-N
XLogP0.75
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methylpiperidin-1-yl)pyridine-2-carbonitrile
CID 79839657
5-(3,5-dimethylpiperidin-1-yl)pyridine-2-carbonitrile
CID 79839099
5-(2-methylthiomorpholin-4-yl)pyridine-2-carbonitrile
CID 115680930
5-[(3R)-3-methylpiperazin-1-yl]pyridin-2-amine
CID 141318309
5-morpholin-4-ylpyridine-2-carbonitrile
CID 43811106
5-(4-propan-2-ylpiperazin-1-yl)pyridine-2-carbonitrile
CID 79839573
4-(6-cyano-3-pyridinyl)morpholine-2-carbonitrile
CID 79838851
5-[(4S)-4-hydroxy-3,3-dimethylpyrrolidin-1-yl]pyridine-2-carbonitrile
CID 125139702
tert-butyl formate;5-piperazin-1-ylpyridine-2-carbonitrile
CID 158770552
5-(3-methylsulfanylazepan-1-yl)pyridine-2-carbonitrile
CID 133395003
5-[4-(4-aminophenyl)piperazin-1-yl]pyridine-2-carbonitrile
CID 115490476
5-[4-[(2R)-2-methylmorpholin-4-yl]piperidin-1-yl]pyridine-2-carbonitrile
CID 97119042

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-3-methylpiperazin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 5-[(3S)-3-methylpiperazin-1-yl]pyridine-2-carbonitrile (CID 104977608) is 5-[(3S)-3-methylpiperazin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[(3S)-3-methylpiperazin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[(3S)-3-methylpiperazin-1-yl]pyridine-2-carbonitrile is C[C@H]1CN(c2ccc(C#N)nc2)CCN1.
What is the InChIKey of 5-[(3S)-3-methylpiperazin-1-yl]pyridine-2-carbonitrile?
The InChIKey is WMXLYOHFDKCFFZ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H14N4/c1-9-8-15(5-4-13-9)11-3-2-10(6-12)14-7-11/h2-3,7,9,13H,4-5,8H2,1H3/t9-/m0/s1.
What are the key properties of 5-[(3S)-3-methylpiperazin-1-yl]pyridine-2-carbonitrile?
5-[(3S)-3-methylpiperazin-1-yl]pyridine-2-carbonitrile has a molecular weight of 202.26 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-3-methylpiperazin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 104977608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).