N-[3-(1H-pyrazol-5-yl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

C20H21N5O3S — CID 46412516

IUPACN-[3-(1H-pyrazol-5-yl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1cccc(-c2ccn[nH]2)c1)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C20H21N5O3S/c26-20(23-17-4-1-3-16(13-17)19-6-10-22-24-19)15-7-11-25(12-8-15)29(27,28)18-5-2-9-21-14-18/h1-6,9-10,13-15H,7-8,11-12H2,(H,22,24)(H,23,26)
InChIKeyOZJCLOUQUIFZTD-UHFFFAOYSA-N
MW411.49 g/mol
LogP2.51
Rot. Bonds5

About N-[3-(1H-pyrazol-5-yl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

N-[3-(1H-pyrazol-5-yl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (PubChem CID 46412516) has the molecular formula C20H21N5O3S and a molecular weight of 411.49 g/mol. Its IUPAC name is N-[3-(1H-pyrazol-5-yl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-pyrazol-5-yl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
PubChem CID46412516
Molecular FormulaC20H21N5O3S
Molecular Weight411.49 g/mol
Exact Mass411.14
IUPAC NameN-[3-(1H-pyrazol-5-yl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1cccc(-c2ccn[nH]2)c1)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C20H21N5O3S/c26-20(23-17-4-1-3-16(13-17)19-6-10-22-24-19)15-7-11-25(12-8-15)29(27,28)18-5-2-9-21-14-18/h1-6,9-10,13-15H,7-8,11-12H2,(H,22,24)(H,23,26)
InChIKeyOZJCLOUQUIFZTD-UHFFFAOYSA-N
XLogP2.51
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.49
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(dimethylsulfamoyl)-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide
CID 72888802
N-(3-nitrophenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 39887346
1-pyridin-3-ylsulfonyl-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]piperidine-4-carboxamide
CID 46408363
N-(3,4-difluorophenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 40637703
N-(4-piperidin-1-ylsulfonylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 55603379
N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30894546
N-(3-chloro-4-methoxyphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 5309136
N-(4-methylsulfanylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46602451
N-(3-fluoro-4-pyrazol-1-ylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 55819342
1-pyridin-3-ylsulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 20851608
1-pyridin-3-ylsulfonyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperidine-4-carboxamide
CID 38882424
N-(4-morpholin-4-ylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30885894

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-pyrazol-5-yl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[3-(1H-pyrazol-5-yl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (CID 46412516) is N-[3-(1H-pyrazol-5-yl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-(1H-pyrazol-5-yl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-(1H-pyrazol-5-yl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is O=C(Nc1cccc(-c2ccn[nH]2)c1)C1CCN(S(=O)(=O)c2cccnc2)CC1.
What is the InChIKey of N-[3-(1H-pyrazol-5-yl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is OZJCLOUQUIFZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3S/c26-20(23-17-4-1-3-16(13-17)19-6-10-22-24-19)15-7-11-25(12-8-15)29(27,28)18-5-2-9-21-14-18/h1-6,9-10,13-15H,7-8,11-12H2,(H,22,24)(H,23,26).
What are the key properties of N-[3-(1H-pyrazol-5-yl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
N-[3-(1H-pyrazol-5-yl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 411.49 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-pyrazol-5-yl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 46412516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).