N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

C24H24N4O3S — CID 30894546

IUPACN-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1cccc(/C=C/c2ccccn2)c1)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C24H24N4O3S/c29-24(20-11-15-28(16-12-20)32(30,31)23-8-4-13-25-18-23)27-22-7-3-5-19(17-22)9-10-21-6-1-2-14-26-21/h1-10,13-14,17-18,20H,11-12,15-16H2,(H,27,29)/b10-9+
InChIKeyGSGRLNWCYAMJGJ-MDZDMXLPSA-N
MW448.55 g/mol
LogP3.69
Rot. Bonds6

About N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (PubChem CID 30894546) has the molecular formula C24H24N4O3S and a molecular weight of 448.55 g/mol. Its IUPAC name is N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
PubChem CID30894546
Molecular FormulaC24H24N4O3S
Molecular Weight448.55 g/mol
Exact Mass448.16
IUPAC NameN-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1cccc(/C=C/c2ccccn2)c1)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C24H24N4O3S/c29-24(20-11-15-28(16-12-20)32(30,31)23-8-4-13-25-18-23)27-22-7-3-5-19(17-22)9-10-21-6-1-2-14-26-21/h1-10,13-14,17-18,20H,11-12,15-16H2,(H,27,29)/b10-9+
InChIKeyGSGRLNWCYAMJGJ-MDZDMXLPSA-N
XLogP3.69
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-nitrophenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 39887346
N-(3,4-difluorophenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 40637703
N-[3-(1H-pyrazol-5-yl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46412516
N-(4-piperidin-1-ylsulfonylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 55603379
1-pyridin-3-ylsulfonyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperidine-4-carboxamide
CID 38882424
N-(3-chloro-4-methoxyphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 5309136
N-cycloheptyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 4137817
N-(4-methylsulfanylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46602451
1-naphthalen-2-ylsulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide
CID 6458338
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
1-pyridin-3-ylsulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 20851608
1-[(E)-2-phenylethenyl]sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide
CID 26592122

Frequently Asked Questions

What is the IUPAC name of N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (CID 30894546) is N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is O=C(Nc1cccc(/C=C/c2ccccn2)c1)C1CCN(S(=O)(=O)c2cccnc2)CC1.
What is the InChIKey of N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is GSGRLNWCYAMJGJ-MDZDMXLPSA-N. The full InChI is InChI=1S/C24H24N4O3S/c29-24(20-11-15-28(16-12-20)32(30,31)23-8-4-13-25-18-23)27-22-7-3-5-19(17-22)9-10-21-6-1-2-14-26-21/h1-10,13-14,17-18,20H,11-12,15-16H2,(H,27,29)/b10-9+.
What are the key properties of N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 448.55 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 30894546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).