N-pyridin-4-yl-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide

C20H20N4O3S — CID 5307388

IUPACN-pyridin-4-yl-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(Nc1ccncc1)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1
InChIInChI=1S/C20H20N4O3S/c25-20(23-17-8-11-21-12-9-17)16-6-3-13-24(14-16)28(26,27)18-7-1-4-15-5-2-10-22-19(15)18/h1-2,4-5,7-12,16H,3,6,13-14H2,(H,21,23,25)
InChIKeyLWVIUOVTDNHULR-UHFFFAOYSA-N
MW396.47 g/mol
LogP2.67
Rot. Bonds4

About N-pyridin-4-yl-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide

N-pyridin-4-yl-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide (PubChem CID 5307388) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-pyridin-4-yl-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-pyridin-4-yl-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
PubChem CID5307388
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC NameN-pyridin-4-yl-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(Nc1ccncc1)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1
InChIInChI=1S/C20H20N4O3S/c25-20(23-17-8-11-21-12-9-17)16-6-3-13-24(14-16)28(26,27)18-7-1-4-15-5-2-10-22-19(15)18/h1-2,4-5,7-12,16H,3,6,13-14H2,(H,21,23,25)
InChIKeyLWVIUOVTDNHULR-UHFFFAOYSA-N
XLogP2.67
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Mitapivat
CID 59634741
(S)-N-(2,5-dimethylphenyl)-1-(quinolin-8-ylsulfonyl)pyrrolidine-2-carboxamide
CID 49842897
8-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)quinoline
CID 2870276
[4-(2-Fluorophenyl)piperazin-1-yl]-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanone
CID 5308986
N-[4-(piperidin-1-yl)phenyl]quinoline-8-sulfonamide
CID 987219
N-[2-(azepan-1-yl)ethyl]-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 5309973
N-[(1S)-1-phenylpropyl]-2-(quinolin-8-ylsulfonylamino)benzamide
CID 9889729
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]quinoline-8-sulfonamide
CID 21092408
N-((R)-6-((tert-butylamino)methyl)-1,2,3,4-tetrahydronaphthalen-1-yl)-2-((S)-1-(quinolin-8-ylsulfonyl)piperidin-2-yl)acetamide
CID 44410250
N-methyl-N-(1-methylpiperidin-4-yl)-1-(3-methylquinolin-8-yl)sulfonyl-2,3-dihydroindole-3-carboxamide
CID 46891007
[1-(5-Isoquinolinylsulfonyl)-3-azetidinyl][4-(4-pyridinyl)-1-piperazinyl]-methanone
CID 62705488
[4-(2,6-Dimethyl-4-pyridinyl)piperazin-1-yl]-(1-isoquinolin-5-ylsulfonylazetidin-3-yl)methanone
CID 62705661

Frequently Asked Questions

What is the IUPAC name of N-pyridin-4-yl-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-pyridin-4-yl-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide (CID 5307388) is N-pyridin-4-yl-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-pyridin-4-yl-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-pyridin-4-yl-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide is O=C(Nc1ccncc1)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1.
What is the InChIKey of N-pyridin-4-yl-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is LWVIUOVTDNHULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c25-20(23-17-8-11-21-12-9-17)16-6-3-13-24(14-16)28(26,27)18-7-1-4-15-5-2-10-22-19(15)18/h1-2,4-5,7-12,16H,3,6,13-14H2,(H,21,23,25).
What are the key properties of N-pyridin-4-yl-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide?
N-pyridin-4-yl-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 396.47 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-4-yl-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 5307388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).