[(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-(1-methylsulfonylazetidin-3-yl)methanone

C16H24N4O3S — CID 124999262

IUPAC[(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-(1-methylsulfonylazetidin-3-yl)methanone
SMILESCN(C)c1cc([C@H]2CCCN2C(=O)C2CN(S(C)(=O)=O)C2)ccn1
InChIInChI=1S/C16H24N4O3S/c1-18(2)15-9-12(6-7-17-15)14-5-4-8-20(14)16(21)13-10-19(11-13)24(3,22)23/h6-7,9,13-14H,4-5,8,10-11H2,1-3H3/t14-/m1/s1
InChIKeyRNPQVEXRJAWWGN-CQSZACIVSA-N
MW352.46 g/mol
LogP0.70
Rot. Bonds4

About [(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-(1-methylsulfonylazetidin-3-yl)methanone

[(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-(1-methylsulfonylazetidin-3-yl)methanone (PubChem CID 124999262) has the molecular formula C16H24N4O3S and a molecular weight of 352.46 g/mol. Its IUPAC name is [(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-(1-methylsulfonylazetidin-3-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-(1-methylsulfonylazetidin-3-yl)methanone
PubChem CID124999262
Molecular FormulaC16H24N4O3S
Molecular Weight352.46 g/mol
Exact Mass352.16
IUPAC Name[(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-(1-methylsulfonylazetidin-3-yl)methanone
SMILESCN(C)c1cc([C@H]2CCCN2C(=O)C2CN(S(C)(=O)=O)C2)ccn1
InChIInChI=1S/C16H24N4O3S/c1-18(2)15-9-12(6-7-17-15)14-5-4-8-20(14)16(21)13-10-19(11-13)24(3,22)23/h6-7,9,13-14H,4-5,8,10-11H2,1-3H3/t14-/m1/s1
InChIKeyRNPQVEXRJAWWGN-CQSZACIVSA-N
XLogP0.70
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-(1-methylsulfonylazetidin-3-yl)methanone 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

(1-methylsulfonylpiperidin-3-yl)-(2-pyridin-4-ylazepan-1-yl)methanone
CID 55764368
2H-benzotriazol-5-yl-[(2S)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone
CID 124994429
1-[(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-2-phenoxyethanone
CID 124980402
(5-cyclopropyl-1,2-oxazol-3-yl)-[2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone
CID 175652507
6-[(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 125014374
N,N-dimethyl-4-(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)pyridin-2-amine
CID 110105853
[(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 125001075
1-[2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 127246800
3-[(2S)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 124973567
1-[4-[(2S)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 125005812
[2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-(6-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 127246847
2-(1,3-benzodioxol-5-yl)-1-[2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]ethanone
CID 127246775

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-(1-methylsulfonylazetidin-3-yl)methanone?
The IUPAC name of [(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-(1-methylsulfonylazetidin-3-yl)methanone (CID 124999262) is [(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-(1-methylsulfonylazetidin-3-yl)methanone.
What is the SMILES notation for [(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-(1-methylsulfonylazetidin-3-yl)methanone?
The canonical SMILES for [(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-(1-methylsulfonylazetidin-3-yl)methanone is CN(C)c1cc([C@H]2CCCN2C(=O)C2CN(S(C)(=O)=O)C2)ccn1.
What is the InChIKey of [(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-(1-methylsulfonylazetidin-3-yl)methanone?
The InChIKey is RNPQVEXRJAWWGN-CQSZACIVSA-N. The full InChI is InChI=1S/C16H24N4O3S/c1-18(2)15-9-12(6-7-17-15)14-5-4-8-20(14)16(21)13-10-19(11-13)24(3,22)23/h6-7,9,13-14H,4-5,8,10-11H2,1-3H3/t14-/m1/s1.
What are the key properties of [(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-(1-methylsulfonylazetidin-3-yl)methanone?
[(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-(1-methylsulfonylazetidin-3-yl)methanone has a molecular weight of 352.46 g/mol, XLogP of 0.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-(1-methylsulfonylazetidin-3-yl)methanone is sourced from PubChem (CID 124999262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).