N-[[1-(6-cyano-2-pyridinyl)azetidin-3-yl]methyl]-N-methylcyclopropanesulfonamide

C14H18N4O2S — CID 154582749

IUPACN-[[1-(6-cyano-2-pyridinyl)azetidin-3-yl]methyl]-N-methylcyclopropanesulfonamide
SMILESCN(CC1CN(c2cccc(C#N)n2)C1)S(=O)(=O)C1CC1
InChIInChI=1S/C14H18N4O2S/c1-17(21(19,20)13-5-6-13)8-11-9-18(10-11)14-4-2-3-12(7-15)16-14/h2-4,11,13H,5-6,8-10H2,1H3
InChIKeyJLUHDMHYGZMDSK-UHFFFAOYSA-N
MW306.39 g/mol
LogP0.81
Rot. Bonds5

About N-[[1-(6-cyano-2-pyridinyl)azetidin-3-yl]methyl]-N-methylcyclopropanesulfonamide

N-[[1-(6-cyano-2-pyridinyl)azetidin-3-yl]methyl]-N-methylcyclopropanesulfonamide (PubChem CID 154582749) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[[1-(6-cyano-2-pyridinyl)azetidin-3-yl]methyl]-N-methylcyclopropanesulfonamide.

Molecular Properties

Compound NameN-[[1-(6-cyano-2-pyridinyl)azetidin-3-yl]methyl]-N-methylcyclopropanesulfonamide
PubChem CID154582749
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC NameN-[[1-(6-cyano-2-pyridinyl)azetidin-3-yl]methyl]-N-methylcyclopropanesulfonamide
SMILESCN(CC1CN(c2cccc(C#N)n2)C1)S(=O)(=O)C1CC1
InChIInChI=1S/C14H18N4O2S/c1-17(21(19,20)13-5-6-13)8-11-9-18(10-11)14-4-2-3-12(7-15)16-14/h2-4,11,13H,5-6,8-10H2,1H3
InChIKeyJLUHDMHYGZMDSK-UHFFFAOYSA-N
XLogP0.81
TPSA77.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[3-(dimethylamino)azetidin-1-yl]pyridine-2-carbonitrile
CID 146386502
N-methyl-N-[[1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)azetidin-3-yl]methyl]cyclopropanesulfonamide
CID 154582587
N-[[1-(6-cyclobutylpyrimidin-4-yl)azetidin-3-yl]methyl]-N-methylcyclopropanesulfonamide
CID 154582564
N-[1-(6-cyano-2-pyridinyl)piperidin-4-yl]cyclopropanesulfonamide
CID 146074389
6-(4-aminopiperidin-1-yl)pyridine-2-carbonitrile
CID 64587586
6-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]pyridine-2-carbonitrile
CID 86814552
N-[1-(6-cyano-2-pyridinyl)piperidin-3-yl]-N-methylcyclopropanecarboxamide
CID 166605930
6-[(3R,4R)-3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile
CID 70754941
6-(3,4-dimethylpiperazin-1-yl)pyridine-2-carbonitrile
CID 64595716
1-(6-cyano-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168719366
methyl (3S,4R)-1-(6-cyano-2-pyridinyl)-3-methylpiperidine-4-carboxylate
CID 125138637
6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-2-carbonitrile
CID 81198880

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-cyano-2-pyridinyl)azetidin-3-yl]methyl]-N-methylcyclopropanesulfonamide?
The IUPAC name of N-[[1-(6-cyano-2-pyridinyl)azetidin-3-yl]methyl]-N-methylcyclopropanesulfonamide (CID 154582749) is N-[[1-(6-cyano-2-pyridinyl)azetidin-3-yl]methyl]-N-methylcyclopropanesulfonamide.
What is the SMILES notation for N-[[1-(6-cyano-2-pyridinyl)azetidin-3-yl]methyl]-N-methylcyclopropanesulfonamide?
The canonical SMILES for N-[[1-(6-cyano-2-pyridinyl)azetidin-3-yl]methyl]-N-methylcyclopropanesulfonamide is CN(CC1CN(c2cccc(C#N)n2)C1)S(=O)(=O)C1CC1.
What is the InChIKey of N-[[1-(6-cyano-2-pyridinyl)azetidin-3-yl]methyl]-N-methylcyclopropanesulfonamide?
The InChIKey is JLUHDMHYGZMDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-17(21(19,20)13-5-6-13)8-11-9-18(10-11)14-4-2-3-12(7-15)16-14/h2-4,11,13H,5-6,8-10H2,1H3.
What are the key properties of N-[[1-(6-cyano-2-pyridinyl)azetidin-3-yl]methyl]-N-methylcyclopropanesulfonamide?
N-[[1-(6-cyano-2-pyridinyl)azetidin-3-yl]methyl]-N-methylcyclopropanesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 0.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-cyano-2-pyridinyl)azetidin-3-yl]methyl]-N-methylcyclopropanesulfonamide is sourced from PubChem (CID 154582749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).