1-[5-[(4-propan-2-ylphenyl)sulfonylamino]-2-pyridinyl]piperidine-3-carboxamide

C20H26N4O3S — CID 86967490

IUPAC1-[5-[(4-propan-2-ylphenyl)sulfonylamino]-2-pyridinyl]piperidine-3-carboxamide
SMILESCC(C)c1ccc(S(=O)(=O)Nc2ccc(N3CCCC(C(N)=O)C3)nc2)cc1
InChIInChI=1S/C20H26N4O3S/c1-14(2)15-5-8-18(9-6-15)28(26,27)23-17-7-10-19(22-12-17)24-11-3-4-16(13-24)20(21)25/h5-10,12,14,16,23H,3-4,11,13H2,1-2H3,(H2,21,25)
InChIKeyOPQCDQIOQOVKAW-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.71
Rot. Bonds6

About 1-[5-[(4-propan-2-ylphenyl)sulfonylamino]-2-pyridinyl]piperidine-3-carboxamide

1-[5-[(4-propan-2-ylphenyl)sulfonylamino]-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 86967490) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is 1-[5-[(4-propan-2-ylphenyl)sulfonylamino]-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-[(4-propan-2-ylphenyl)sulfonylamino]-2-pyridinyl]piperidine-3-carboxamide
PubChem CID86967490
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC Name1-[5-[(4-propan-2-ylphenyl)sulfonylamino]-2-pyridinyl]piperidine-3-carboxamide
SMILESCC(C)c1ccc(S(=O)(=O)Nc2ccc(N3CCCC(C(N)=O)C3)nc2)cc1
InChIInChI=1S/C20H26N4O3S/c1-14(2)15-5-8-18(9-6-15)28(26,27)23-17-7-10-19(22-12-17)24-11-3-4-16(13-24)20(21)25/h5-10,12,14,16,23H,3-4,11,13H2,1-2H3,(H2,21,25)
InChIKeyOPQCDQIOQOVKAW-UHFFFAOYSA-N
XLogP2.71
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]piperidine-3-carboxamide
CID 51969113
1-[5-[(1-methylsulfonylpiperidine-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55700725
N-[6-[(3S)-3-methyl-4-prop-2-enylpiperazin-1-yl]-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 69146506
1-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 90309940
N-[6-[(3S)-3-ethyl-4-propylpiperazin-1-yl]-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride
CID 141290503
N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide
CID 113015711
N-[4-[[6-(azepan-1-yl)-3-pyridinyl]sulfamoyl]phenyl]acetamide
CID 113015969
1-[5-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55971087
(3R)-1-[5-(3-methylbutylsulfamoyl)-2-pyridinyl]pyrrolidine-3-carboxamide
CID 95327429
(3S)-1-(5-amino-2-pyridinyl)piperidine-3-carboxamide
CID 30115330
1-[5-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55967766
(3R)-1-(5-nitro-2-pyridinyl)piperidine-3-carboxamide
CID 30994170

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(4-propan-2-ylphenyl)sulfonylamino]-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of 1-[5-[(4-propan-2-ylphenyl)sulfonylamino]-2-pyridinyl]piperidine-3-carboxamide (CID 86967490) is 1-[5-[(4-propan-2-ylphenyl)sulfonylamino]-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[5-[(4-propan-2-ylphenyl)sulfonylamino]-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[5-[(4-propan-2-ylphenyl)sulfonylamino]-2-pyridinyl]piperidine-3-carboxamide is CC(C)c1ccc(S(=O)(=O)Nc2ccc(N3CCCC(C(N)=O)C3)nc2)cc1.
What is the InChIKey of 1-[5-[(4-propan-2-ylphenyl)sulfonylamino]-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is OPQCDQIOQOVKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-14(2)15-5-8-18(9-6-15)28(26,27)23-17-7-10-19(22-12-17)24-11-3-4-16(13-24)20(21)25/h5-10,12,14,16,23H,3-4,11,13H2,1-2H3,(H2,21,25).
What are the key properties of 1-[5-[(4-propan-2-ylphenyl)sulfonylamino]-2-pyridinyl]piperidine-3-carboxamide?
1-[5-[(4-propan-2-ylphenyl)sulfonylamino]-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 402.52 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(4-propan-2-ylphenyl)sulfonylamino]-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 86967490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).