(2R)-N-(6-methoxy-3-pyridinyl)-1-methylsulfonylpyrrolidine-2-carboxamide

C12H17N3O4S — CID 39898332

IUPAC(2R)-N-(6-methoxy-3-pyridinyl)-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)[C@H]2CCCN2S(C)(=O)=O)cn1
InChIInChI=1S/C12H17N3O4S/c1-19-11-6-5-9(8-13-11)14-12(16)10-4-3-7-15(10)20(2,17)18/h5-6,8,10H,3-4,7H2,1-2H3,(H,14,16)/t10-/m1/s1
InChIKeyCIFKHSMRKPNDKM-SNVBAGLBSA-N
MW299.35 g/mol
LogP0.45
Rot. Bonds4

About (2R)-N-(6-methoxy-3-pyridinyl)-1-methylsulfonylpyrrolidine-2-carboxamide

(2R)-N-(6-methoxy-3-pyridinyl)-1-methylsulfonylpyrrolidine-2-carboxamide (PubChem CID 39898332) has the molecular formula C12H17N3O4S and a molecular weight of 299.35 g/mol. Its IUPAC name is (2R)-N-(6-methoxy-3-pyridinyl)-1-methylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(6-methoxy-3-pyridinyl)-1-methylsulfonylpyrrolidine-2-carboxamide
PubChem CID39898332
Molecular FormulaC12H17N3O4S
Molecular Weight299.35 g/mol
Exact Mass299.09
IUPAC Name(2R)-N-(6-methoxy-3-pyridinyl)-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)[C@H]2CCCN2S(C)(=O)=O)cn1
InChIInChI=1S/C12H17N3O4S/c1-19-11-6-5-9(8-13-11)14-12(16)10-4-3-7-15(10)20(2,17)18/h5-6,8,10H,3-4,7H2,1-2H3,(H,14,16)/t10-/m1/s1
InChIKeyCIFKHSMRKPNDKM-SNVBAGLBSA-N
XLogP0.45
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[6-(3-methoxyphenoxy)-3-pyridinyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 131915781
(2R)-N-(6-methoxy-3-pyridinyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 40645847
(2S)-1-(cyclohexanecarbonyl)-N-(6-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide
CID 51951158
N-[6-(diethylamino)-3-pyridinyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 55784405
(2S)-1-(3,5-dichlorobenzoyl)-N-(6-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide
CID 35702321
(2R)-N-(4-acetylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 27444312
N-(3,4-dipropoxyphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 43033680
1-methylsulfonyl-N-(4-phenoxyphenyl)pyrrolidine-2-carboxamide
CID 17412915
N-[4-(4-methylphenoxy)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 55429298
N-[4-(methylcarbamoyl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 18093594
tert-butyl 2-[(6-methoxy-3-pyridinyl)carbamoyl]azetidine-1-carboxylate
CID 162353607
N-[4-(diethylamino)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 51240484

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(6-methoxy-3-pyridinyl)-1-methylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(6-methoxy-3-pyridinyl)-1-methylsulfonylpyrrolidine-2-carboxamide (CID 39898332) is (2R)-N-(6-methoxy-3-pyridinyl)-1-methylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(6-methoxy-3-pyridinyl)-1-methylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(6-methoxy-3-pyridinyl)-1-methylsulfonylpyrrolidine-2-carboxamide is COc1ccc(NC(=O)[C@H]2CCCN2S(C)(=O)=O)cn1.
What is the InChIKey of (2R)-N-(6-methoxy-3-pyridinyl)-1-methylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is CIFKHSMRKPNDKM-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17N3O4S/c1-19-11-6-5-9(8-13-11)14-12(16)10-4-3-7-15(10)20(2,17)18/h5-6,8,10H,3-4,7H2,1-2H3,(H,14,16)/t10-/m1/s1.
What are the key properties of (2R)-N-(6-methoxy-3-pyridinyl)-1-methylsulfonylpyrrolidine-2-carboxamide?
(2R)-N-(6-methoxy-3-pyridinyl)-1-methylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 299.35 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(6-methoxy-3-pyridinyl)-1-methylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 39898332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).