(3R)-1-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]piperidine-3-carboxamide

C17H28N4O3S — CID 51969113

IUPAC(3R)-1-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]piperidine-3-carboxamide
SMILESCC(C)N(C(C)C)S(=O)(=O)c1ccc(N2CCC[C@@H](C(N)=O)C2)nc1
InChIInChI=1S/C17H28N4O3S/c1-12(2)21(13(3)4)25(23,24)15-7-8-16(19-10-15)20-9-5-6-14(11-20)17(18)22/h7-8,10,12-14H,5-6,9,11H2,1-4H3,(H2,18,22)/t14-/m1/s1
InChIKeyBKEFZRIPVQEXHF-CQSZACIVSA-N
MW368.50 g/mol
LogP1.59
Rot. Bonds6

About (3R)-1-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]piperidine-3-carboxamide

(3R)-1-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 51969113) has the molecular formula C17H28N4O3S and a molecular weight of 368.50 g/mol. Its IUPAC name is (3R)-1-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]piperidine-3-carboxamide
PubChem CID51969113
Molecular FormulaC17H28N4O3S
Molecular Weight368.50 g/mol
Exact Mass368.19
IUPAC Name(3R)-1-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]piperidine-3-carboxamide
SMILESCC(C)N(C(C)C)S(=O)(=O)c1ccc(N2CCC[C@@H](C(N)=O)C2)nc1
InChIInChI=1S/C17H28N4O3S/c1-12(2)21(13(3)4)25(23,24)15-7-8-16(19-10-15)20-9-5-6-14(11-20)17(18)22/h7-8,10,12-14H,5-6,9,11H2,1-4H3,(H2,18,22)/t14-/m1/s1
InChIKeyBKEFZRIPVQEXHF-CQSZACIVSA-N
XLogP1.59
TPSA96.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-[5-(diethylsulfamoyl)-2-pyridinyl]pyrrolidine-3-carboxamide
CID 94434130
1-[5-[(4-propan-2-ylphenyl)sulfonylamino]-2-pyridinyl]piperidine-3-carboxamide
CID 86967490
1-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 90309940
(2S)-1-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]pyrrolidine-2-carboxylic acid
CID 122059850
(3S)-1-(5-amino-2-pyridinyl)piperidine-3-carboxamide
CID 30115330
(3R)-1-[5-(3-methylbutylsulfamoyl)-2-pyridinyl]pyrrolidine-3-carboxamide
CID 95327429
(3R)-1-(5-nitro-2-pyridinyl)piperidine-3-carboxamide
CID 30994170
1-[5-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55971087
1-[5-[(tert-butylamino)methyl]-2-pyridinyl]piperidine-3-carboxamide
CID 80632237
1-[5-[(1-methylsulfonylpiperidine-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55700725
1-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122052361
1-[5-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]-2-pyridinyl]piperidine-3-carboxamide
CID 55970200

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]piperidine-3-carboxamide (CID 51969113) is (3R)-1-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]piperidine-3-carboxamide is CC(C)N(C(C)C)S(=O)(=O)c1ccc(N2CCC[C@@H](C(N)=O)C2)nc1.
What is the InChIKey of (3R)-1-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is BKEFZRIPVQEXHF-CQSZACIVSA-N. The full InChI is InChI=1S/C17H28N4O3S/c1-12(2)21(13(3)4)25(23,24)15-7-8-16(19-10-15)20-9-5-6-14(11-20)17(18)22/h7-8,10,12-14H,5-6,9,11H2,1-4H3,(H2,18,22)/t14-/m1/s1.
What are the key properties of (3R)-1-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]piperidine-3-carboxamide?
(3R)-1-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 368.50 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 51969113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).