6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]pyridine-3-carbonitrile

C14H19N5 — CID 126891739

IUPAC6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]pyridine-3-carbonitrile
SMILESCN1CCN(C2CN(c3ccc(C#N)cn3)C2)CC1
InChIInChI=1S/C14H19N5/c1-17-4-6-18(7-5-17)13-10-19(11-13)14-3-2-12(8-15)9-16-14/h2-3,9,13H,4-7,10-11H2,1H3
InChIKeyMBNFPHVJYDZIGO-UHFFFAOYSA-N
MW257.34 g/mol
LogP0.39
Rot. Bonds2

About 6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]pyridine-3-carbonitrile

6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]pyridine-3-carbonitrile (PubChem CID 126891739) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]pyridine-3-carbonitrile
PubChem CID126891739
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]pyridine-3-carbonitrile
SMILESCN1CCN(C2CN(c3ccc(C#N)cn3)C2)CC1
InChIInChI=1S/C14H19N5/c1-17-4-6-18(7-5-17)13-10-19(11-13)14-3-2-12(8-15)9-16-14/h2-3,9,13H,4-7,10-11H2,1H3
InChIKeyMBNFPHVJYDZIGO-UHFFFAOYSA-N
XLogP0.39
TPSA46.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-morpholin-4-ylazetidin-1-yl)pyridine-3-carbonitrile
CID 175647980
fluoromethane;6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 169148538
6-(3-morpholin-4-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 172899261
3-(5-cyano-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid
CID 170168129
6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 58431342
6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carbonitrile
CID 43430337
6-(3-propan-2-ylpyrrolidin-1-yl)pyridine-3-carbonitrile
CID 112698394
3-methyl-6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]pyridazine
CID 126891751
6-(5-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)pyridine-3-carbonitrile
CID 163351951
6-[4-(oxolan-3-yl)-1,4-diazepan-1-yl]pyridine-3-carbonitrile
CID 166602960
2-[1-(5-cyano-2-pyridinyl)azetidin-3-yl]propanoic acid
CID 116681902
6-(3-pyrazol-1-ylpyrrolidin-1-yl)pyridine-3-carbonitrile
CID 126946418

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]pyridine-3-carbonitrile (CID 126891739) is 6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]pyridine-3-carbonitrile is CN1CCN(C2CN(c3ccc(C#N)cn3)C2)CC1.
What is the InChIKey of 6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is MBNFPHVJYDZIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-17-4-6-18(7-5-17)13-10-19(11-13)14-3-2-12(8-15)9-16-14/h2-3,9,13H,4-7,10-11H2,1H3.
What are the key properties of 6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]pyridine-3-carbonitrile?
6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 257.34 g/mol, XLogP of 0.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 126891739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).