(3R)-1-[5-(3-methylbutylsulfamoyl)-2-pyridinyl]pyrrolidine-3-carboxamide

C15H24N4O3S — CID 95327429

IUPAC(3R)-1-[5-(3-methylbutylsulfamoyl)-2-pyridinyl]pyrrolidine-3-carboxamide
SMILESCC(C)CCNS(=O)(=O)c1ccc(N2CC[C@@H](C(N)=O)C2)nc1
InChIInChI=1S/C15H24N4O3S/c1-11(2)5-7-18-23(21,22)13-3-4-14(17-9-13)19-8-6-12(10-19)15(16)20/h3-4,9,11-12,18H,5-8,10H2,1-2H3,(H2,16,20)/t12-/m1/s1
InChIKeyKMHFDYKXDOADQX-GFCCVEGCSA-N
MW340.45 g/mol
LogP0.72
Rot. Bonds7

About (3R)-1-[5-(3-methylbutylsulfamoyl)-2-pyridinyl]pyrrolidine-3-carboxamide

(3R)-1-[5-(3-methylbutylsulfamoyl)-2-pyridinyl]pyrrolidine-3-carboxamide (PubChem CID 95327429) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is (3R)-1-[5-(3-methylbutylsulfamoyl)-2-pyridinyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[5-(3-methylbutylsulfamoyl)-2-pyridinyl]pyrrolidine-3-carboxamide
PubChem CID95327429
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC Name(3R)-1-[5-(3-methylbutylsulfamoyl)-2-pyridinyl]pyrrolidine-3-carboxamide
SMILESCC(C)CCNS(=O)(=O)c1ccc(N2CC[C@@H](C(N)=O)C2)nc1
InChIInChI=1S/C15H24N4O3S/c1-11(2)5-7-18-23(21,22)13-3-4-14(17-9-13)19-8-6-12(10-19)15(16)20/h3-4,9,11-12,18H,5-8,10H2,1-2H3,(H2,16,20)/t12-/m1/s1
InChIKeyKMHFDYKXDOADQX-GFCCVEGCSA-N
XLogP0.72
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-[5-(diethylsulfamoyl)-2-pyridinyl]pyrrolidine-3-carboxamide
CID 94434130
(3R)-1-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]piperidine-3-carboxamide
CID 51969113
1-[5-[(4-propan-2-ylphenyl)sulfonylamino]-2-pyridinyl]piperidine-3-carboxamide
CID 86967490
(3S)-1-(5-amino-2-pyridinyl)piperidine-3-carboxamide
CID 30115330
1-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 90309940
methyl 1-(5-carbamoyl-2-pyridinyl)pyrrolidine-3-carboxylate
CID 78984051
1-[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]piperidine-4-carboxamide
CID 4816078
6-[3-(methylaminomethyl)pyrrolidin-1-yl]pyridine-3-sulfonamide
CID 63267802
1-(cyclopropanecarbonyl)-N-(3-methylbutyl)-2,3-dihydroindole-5-sulfonamide
CID 5062232
1-[5-[(1-methylsulfonylpiperidine-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55700725
1-[5-(methylsulfamoyl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133331662
5-(3-methylbutylsulfamoyl)-2-pyrrolidin-1-ylbenzoic acid
CID 99986428

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[5-(3-methylbutylsulfamoyl)-2-pyridinyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-[5-(3-methylbutylsulfamoyl)-2-pyridinyl]pyrrolidine-3-carboxamide (CID 95327429) is (3R)-1-[5-(3-methylbutylsulfamoyl)-2-pyridinyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[5-(3-methylbutylsulfamoyl)-2-pyridinyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-[5-(3-methylbutylsulfamoyl)-2-pyridinyl]pyrrolidine-3-carboxamide is CC(C)CCNS(=O)(=O)c1ccc(N2CC[C@@H](C(N)=O)C2)nc1.
What is the InChIKey of (3R)-1-[5-(3-methylbutylsulfamoyl)-2-pyridinyl]pyrrolidine-3-carboxamide?
The InChIKey is KMHFDYKXDOADQX-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-11(2)5-7-18-23(21,22)13-3-4-14(17-9-13)19-8-6-12(10-19)15(16)20/h3-4,9,11-12,18H,5-8,10H2,1-2H3,(H2,16,20)/t12-/m1/s1.
What are the key properties of (3R)-1-[5-(3-methylbutylsulfamoyl)-2-pyridinyl]pyrrolidine-3-carboxamide?
(3R)-1-[5-(3-methylbutylsulfamoyl)-2-pyridinyl]pyrrolidine-3-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 0.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[5-(3-methylbutylsulfamoyl)-2-pyridinyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 95327429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).