N-[4-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]phenyl]pyridine-2-carboxamide

C25H26N4O5S — CID 648074

IUPACN-[4-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]phenyl]pyridine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3ccc(NC(=O)c4ccccn4)cc3)C2)cc1
InChIInChI=1S/C25H26N4O5S/c1-34-21-11-13-22(14-12-21)35(32,33)29-16-4-5-18(17-29)24(30)27-19-7-9-20(10-8-19)28-25(31)23-6-2-3-15-26-23/h2-3,6-15,18H,4-5,16-17H2,1H3,(H,27,30)(H,28,31)
InChIKeyXHCWDZOTIDMTMC-UHFFFAOYSA-N
MW494.57 g/mol
LogP3.38
Rot. Bonds7

About N-[4-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]phenyl]pyridine-2-carboxamide

N-[4-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]phenyl]pyridine-2-carboxamide (PubChem CID 648074) has the molecular formula C25H26N4O5S and a molecular weight of 494.57 g/mol. Its IUPAC name is N-[4-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]phenyl]pyridine-2-carboxamide
PubChem CID648074
Molecular FormulaC25H26N4O5S
Molecular Weight494.57 g/mol
Exact Mass494.16
IUPAC NameN-[4-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]phenyl]pyridine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3ccc(NC(=O)c4ccccn4)cc3)C2)cc1
InChIInChI=1S/C25H26N4O5S/c1-34-21-11-13-22(14-12-21)35(32,33)29-16-4-5-18(17-29)24(30)27-19-7-9-20(10-8-19)28-25(31)23-6-2-3-15-26-23/h2-3,6-15,18H,4-5,16-17H2,1H3,(H,27,30)(H,28,31)
InChIKeyXHCWDZOTIDMTMC-UHFFFAOYSA-N
XLogP3.38
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.57
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 2981499
1-(4-methoxyphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 2983927
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]pyridine-3-carboxamide
CID 3618549
(R)-N-Hydroxy-2-[(4-methoxy-benzenesulfonyl)-pyridin-2-ylmethyl-amino]-3-methyl-butyramide
CID 9886865
(R)-2-[(4-Methoxy-benzenesulfonyl)-pyridin-2-ylmethyl-amino]-4-methyl-pentanoic acid hydroxyamide
CID 15296577
N-(1-(4-cyanobenzyl)piperidin-4-yl)-5-(4-(4-methoxyphenylsulfonyl) piperazine-1-carbonyl)picolinamide
CID 56651002
3-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 139390930
4-[[(3-methoxyphenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 984439
4-{[(4-methoxyphenyl)sulfonyl](methyl)amino}-N-(pyridin-3-yl)benzamide
CID 1242126
N-(benzenesulfonyl)-N-(4-methoxyphenyl)-3-pyridinecarboxamide
CID 1242547
4-{[(3-methoxyphenyl)sulfonyl]amino}-N-(4-pyridinyl)benzamide
CID 2241461
N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-2-carboxamide
CID 3360888

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]phenyl]pyridine-2-carboxamide (CID 648074) is N-[4-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]phenyl]pyridine-2-carboxamide is COc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3ccc(NC(=O)c4ccccn4)cc3)C2)cc1.
What is the InChIKey of N-[4-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]phenyl]pyridine-2-carboxamide?
The InChIKey is XHCWDZOTIDMTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O5S/c1-34-21-11-13-22(14-12-21)35(32,33)29-16-4-5-18(17-29)24(30)27-19-7-9-20(10-8-19)28-25(31)23-6-2-3-15-26-23/h2-3,6-15,18H,4-5,16-17H2,1H3,(H,27,30)(H,28,31).
What are the key properties of N-[4-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]phenyl]pyridine-2-carboxamide?
N-[4-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]phenyl]pyridine-2-carboxamide has a molecular weight of 494.57 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 648074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).