6-[3-(dimethylamino)azetidin-1-yl]pyridine-2-carbonitrile

C11H14N4 — CID 146386502

IUPAC6-[3-(dimethylamino)azetidin-1-yl]pyridine-2-carbonitrile
SMILESCN(C)C1CN(c2cccc(C#N)n2)C1
InChIInChI=1S/C11H14N4/c1-14(2)10-7-15(8-10)11-5-3-4-9(6-12)13-11/h3-5,10H,7-8H2,1-2H3
InChIKeyCMTAVBDTQZLTJQ-UHFFFAOYSA-N
MW202.26 g/mol
LogP0.70
Rot. Bonds2

About 6-[3-(dimethylamino)azetidin-1-yl]pyridine-2-carbonitrile

6-[3-(dimethylamino)azetidin-1-yl]pyridine-2-carbonitrile (PubChem CID 146386502) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 6-[3-(dimethylamino)azetidin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[3-(dimethylamino)azetidin-1-yl]pyridine-2-carbonitrile
PubChem CID146386502
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name6-[3-(dimethylamino)azetidin-1-yl]pyridine-2-carbonitrile
SMILESCN(C)C1CN(c2cccc(C#N)n2)C1
InChIInChI=1S/C11H14N4/c1-14(2)10-7-15(8-10)11-5-3-4-9(6-12)13-11/h3-5,10H,7-8H2,1-2H3
InChIKeyCMTAVBDTQZLTJQ-UHFFFAOYSA-N
XLogP0.70
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(6-cyano-2-pyridinyl)piperidin-3-yl]-N-methylcyclopropanecarboxamide
CID 166605930
N-[[1-(6-cyano-2-pyridinyl)azetidin-3-yl]methyl]-N-methylcyclopropanesulfonamide
CID 154582749
6-(3,4-dimethylpiperazin-1-yl)pyridine-2-carbonitrile
CID 64595716
6-(4-aminopiperidin-1-yl)pyridine-2-carbonitrile
CID 64587586
6-[(3R,4R)-3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile
CID 70754941
6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-2-carbonitrile
CID 81198880
6-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]pyridine-2-carbonitrile
CID 86814552
6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]pyridazine-3-carbonitrile
CID 145425808
6-[(2S)-2,4-dimethylpiperazin-1-yl]pyridine-2-carbonitrile
CID 150768660
6-[2-(1-aminoethyl)morpholin-4-yl]pyridine-2-carbonitrile
CID 115315735
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-2-carbonitrile
CID 78995478
6-(2,5-dimethylpiperazin-1-yl)pyridine-2-carbonitrile
CID 64983613

Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)azetidin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[3-(dimethylamino)azetidin-1-yl]pyridine-2-carbonitrile (CID 146386502) is 6-[3-(dimethylamino)azetidin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[3-(dimethylamino)azetidin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[3-(dimethylamino)azetidin-1-yl]pyridine-2-carbonitrile is CN(C)C1CN(c2cccc(C#N)n2)C1.
What is the InChIKey of 6-[3-(dimethylamino)azetidin-1-yl]pyridine-2-carbonitrile?
The InChIKey is CMTAVBDTQZLTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-14(2)10-7-15(8-10)11-5-3-4-9(6-12)13-11/h3-5,10H,7-8H2,1-2H3.
What are the key properties of 6-[3-(dimethylamino)azetidin-1-yl]pyridine-2-carbonitrile?
6-[3-(dimethylamino)azetidin-1-yl]pyridine-2-carbonitrile has a molecular weight of 202.26 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)azetidin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 146386502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).