N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide

C15H21N3O4S — CID 133126149

IUPACN-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)N[C@@H]1CN(S(C)(=O)=O)C[C@H]1C1CC1
InChIInChI=1S/C15H21N3O4S/c1-22-15-11(4-3-7-16-15)14(19)17-13-9-18(23(2,20)21)8-12(13)10-5-6-10/h3-4,7,10,12-13H,5-6,8-9H2,1-2H3,(H,17,19)/t12-,13+/m0/s1
InChIKeyZXOZQGCQFIDMSY-QWHCGFSZSA-N
MW339.42 g/mol
LogP0.49
Rot. Bonds5

About N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide

N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide (PubChem CID 133126149) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
PubChem CID133126149
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC NameN-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)N[C@@H]1CN(S(C)(=O)=O)C[C@H]1C1CC1
InChIInChI=1S/C15H21N3O4S/c1-22-15-11(4-3-7-16-15)14(19)17-13-9-18(23(2,20)21)8-12(13)10-5-6-10/h3-4,7,10,12-13H,5-6,8-9H2,1-2H3,(H,17,19)/t12-,13+/m0/s1
InChIKeyZXOZQGCQFIDMSY-QWHCGFSZSA-N
XLogP0.49
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-2-(methylamino)pyridine-4-carboxamide
CID 133110064
6-amino-N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]pyridine-3-carboxamide
CID 133130837
N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methoxypyridine-3-carboxamide
CID 100839406
N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-1-methylpyrazole-3-carboxamide
CID 133128276
methyl 4-[(2-methoxypyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 115617208
2-(dimethylamino)-N-[(3S,4R)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]pyridine-3-carboxamide
CID 133131844
2-methoxy-N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]pyridine-3-carboxamide
CID 133267819
N-[(3R,4S)-4-fluoro-1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
CID 175918488
N-[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-2-methoxypyridine-3-carboxamide
CID 52789544
2-methoxy-N-[(2S)-2-sulfamoylpropyl]pyridine-3-carboxamide
CID 97253087
2-methoxy-N-(7-oxaspiro[3.5]nonan-3-yl)pyridine-3-carboxamide
CID 122276276
2-methoxy-N-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]pyridine-3-carboxamide
CID 118760769

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide?
The IUPAC name of N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide (CID 133126149) is N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide is COc1ncccc1C(=O)N[C@@H]1CN(S(C)(=O)=O)C[C@H]1C1CC1.
What is the InChIKey of N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide?
The InChIKey is ZXOZQGCQFIDMSY-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-22-15-11(4-3-7-16-15)14(19)17-13-9-18(23(2,20)21)8-12(13)10-5-6-10/h3-4,7,10,12-13H,5-6,8-9H2,1-2H3,(H,17,19)/t12-,13+/m0/s1.
What are the key properties of N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide?
N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 133126149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).