N-methyl-N-[[1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)azetidin-3-yl]methyl]cyclopropanesulfonamide

C16H20N4O3S — CID 154582587

IUPACN-methyl-N-[[1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)azetidin-3-yl]methyl]cyclopropanesulfonamide
SMILESCN(CC1CN(c2cc(=O)n3ccccc3n2)C1)S(=O)(=O)C1CC1
InChIInChI=1S/C16H20N4O3S/c1-18(24(22,23)13-5-6-13)9-12-10-19(11-12)15-8-16(21)20-7-3-2-4-14(20)17-15/h2-4,7-8,12-13H,5-6,9-11H2,1H3
InChIKeyAIMMAODZIAFJBT-UHFFFAOYSA-N
MW348.43 g/mol
LogP0.55
Rot. Bonds5

About N-methyl-N-[[1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)azetidin-3-yl]methyl]cyclopropanesulfonamide

N-methyl-N-[[1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)azetidin-3-yl]methyl]cyclopropanesulfonamide (PubChem CID 154582587) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-methyl-N-[[1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)azetidin-3-yl]methyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[[1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)azetidin-3-yl]methyl]cyclopropanesulfonamide
PubChem CID154582587
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC NameN-methyl-N-[[1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)azetidin-3-yl]methyl]cyclopropanesulfonamide
SMILESCN(CC1CN(c2cc(=O)n3ccccc3n2)C1)S(=O)(=O)C1CC1
InChIInChI=1S/C16H20N4O3S/c1-18(24(22,23)13-5-6-13)9-12-10-19(11-12)15-8-16(21)20-7-3-2-4-14(20)17-15/h2-4,7-8,12-13H,5-6,9-11H2,1H3
InChIKeyAIMMAODZIAFJBT-UHFFFAOYSA-N
XLogP0.55
TPSA74.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-methyl-N-[[1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)azetidin-3-yl]methyl]cyclopropanesulfonamide 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

N-[[1-(6-cyclobutylpyrimidin-4-yl)azetidin-3-yl]methyl]-N-methylcyclopropanesulfonamide
CID 154582564
2-[4-[[(6-cyclopropyl-5-fluoropyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 163350786
2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrido[1,2-a]pyrimidin-4-one
CID 91642906
2-[(3S)-3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 164640811
2-[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methylamino]pyrido[1,2-a]pyrimidin-4-one
CID 126922534
2-[4-(4-oxopyrido[1,2-a]pyrimidin-2-yl)morpholin-2-yl]acetaldehyde
CID 25126391
2-[[1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)piperidin-3-yl]methoxy]pyridine-4-carbonitrile
CID 139023189
2-(3-methylidene-8-azabicyclo[3.2.1]octan-8-yl)pyrido[1,2-a]pyrimidin-4-one
CID 139023257
2-(1,4-diazepan-1-yl)pyrido[1,2-a]pyrimidin-4-one
CID 82276271
2-[[(1-methylpyrrolidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 62670895
2-[(3-methylsulfonylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 62670048
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 42888390

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)azetidin-3-yl]methyl]cyclopropanesulfonamide?
The IUPAC name of N-methyl-N-[[1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)azetidin-3-yl]methyl]cyclopropanesulfonamide (CID 154582587) is N-methyl-N-[[1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)azetidin-3-yl]methyl]cyclopropanesulfonamide.
What is the SMILES notation for N-methyl-N-[[1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)azetidin-3-yl]methyl]cyclopropanesulfonamide?
The canonical SMILES for N-methyl-N-[[1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)azetidin-3-yl]methyl]cyclopropanesulfonamide is CN(CC1CN(c2cc(=O)n3ccccc3n2)C1)S(=O)(=O)C1CC1.
What is the InChIKey of N-methyl-N-[[1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)azetidin-3-yl]methyl]cyclopropanesulfonamide?
The InChIKey is AIMMAODZIAFJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-18(24(22,23)13-5-6-13)9-12-10-19(11-12)15-8-16(21)20-7-3-2-4-14(20)17-15/h2-4,7-8,12-13H,5-6,9-11H2,1H3.
What are the key properties of N-methyl-N-[[1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)azetidin-3-yl]methyl]cyclopropanesulfonamide?
N-methyl-N-[[1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)azetidin-3-yl]methyl]cyclopropanesulfonamide has a molecular weight of 348.43 g/mol, XLogP of 0.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)azetidin-3-yl]methyl]cyclopropanesulfonamide is sourced from PubChem (CID 154582587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).