2-methylsulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide

C17H19N3O3S2 — CID 3672825

IUPAC2-methylsulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C17H19N3O3S2/c1-24-17-15(8-5-9-18-17)16(21)19-13-6-4-7-14(12-13)25(22,23)20-10-2-3-11-20/h4-9,12H,2-3,10-11H2,1H3,(H,19,21)
InChIKeyFVMPUWJDPPNAHE-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.84
Rot. Bonds5

About 2-methylsulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide

2-methylsulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide (PubChem CID 3672825) has the molecular formula C17H19N3O3S2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
PubChem CID3672825
Molecular FormulaC17H19N3O3S2
Molecular Weight377.49 g/mol
Exact Mass377.09
IUPAC Name2-methylsulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C17H19N3O3S2/c1-24-17-15(8-5-9-18-17)16(21)19-13-6-4-7-14(12-13)25(22,23)20-10-2-3-11-20/h4-9,12H,2-3,10-11H2,1H3,(H,19,21)
InChIKeyFVMPUWJDPPNAHE-UHFFFAOYSA-N
XLogP2.84
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 44201382
N-(3-methoxypropyl)-2-(phenylsulfanyl)-5-sulfamoylpyridine-3-carboxamide
CID 44201383
1-(3-Methylsulfanyl-phenyl)-3-(pyridine-3-carbonyl)-thiourea
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2-(methylsulfanyl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 2088327
N-tert-butyl-2-phenylsulfanylpyridine-3-carboxamide
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2-(Methylthio)-N-(3-(morpholinosulfonyl)phenyl)nicotinamide
CID 4308744
N-[3-(azepan-1-ylsulfonyl)phenyl]-5-bromopyridine-3-carboxamide
CID 4587660
N-[3-(dimethylsulfamoyl)-4-methylphenyl]pyridine-3-carboxamide
CID 4879012
N-cyclohexyl-2-phenylsulfanylpyridine-3-carboxamide
CID 8083388
4-(Benzyl-methanesulfonyl-amino)-N-[2-(pyridin-2-ylsulfanyl)-ethyl]-benzamide
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N-[4-(pyrrolidin-1-ylsulfonyl)phenyl]pyridine-3-carboxamide
CID 2316496

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-methylsulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide (CID 3672825) is 2-methylsulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-methylsulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-methylsulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide is CSc1ncccc1C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 2-methylsulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide?
The InChIKey is FVMPUWJDPPNAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S2/c1-24-17-15(8-5-9-18-17)16(21)19-13-6-4-7-14(12-13)25(22,23)20-10-2-3-11-20/h4-9,12H,2-3,10-11H2,1H3,(H,19,21).
What are the key properties of 2-methylsulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide?
2-methylsulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 3672825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).