1-[5-acetamido-2-(methanesulfonamido)benzoyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide

C22H27N5O5S — CID 56513710

IUPAC1-[5-acetamido-2-(methanesulfonamido)benzoyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)N2CCCC(C(=O)Nc3cccc(C)n3)C2)c1
InChIInChI=1S/C22H27N5O5S/c1-14-6-4-8-20(23-14)25-21(29)16-7-5-11-27(13-16)22(30)18-12-17(24-15(2)28)9-10-19(18)26-33(3,31)32/h4,6,8-10,12,16,26H,5,7,11,13H2,1-3H3,(H,24,28)(H,23,25,29)
InChIKeyAZPAFQSMESXFOR-UHFFFAOYSA-N
MW473.56 g/mol
LogP2.21
Rot. Bonds6

About 1-[5-acetamido-2-(methanesulfonamido)benzoyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide

1-[5-acetamido-2-(methanesulfonamido)benzoyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 56513710) has the molecular formula C22H27N5O5S and a molecular weight of 473.56 g/mol. Its IUPAC name is 1-[5-acetamido-2-(methanesulfonamido)benzoyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-acetamido-2-(methanesulfonamido)benzoyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
PubChem CID56513710
Molecular FormulaC22H27N5O5S
Molecular Weight473.56 g/mol
Exact Mass473.17
IUPAC Name1-[5-acetamido-2-(methanesulfonamido)benzoyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)N2CCCC(C(=O)Nc3cccc(C)n3)C2)c1
InChIInChI=1S/C22H27N5O5S/c1-14-6-4-8-20(23-14)25-21(29)16-7-5-11-27(13-16)22(30)18-12-17(24-15(2)28)9-10-19(18)26-33(3,31)32/h4,6,8-10,12,16,26H,5,7,11,13H2,1-3H3,(H,24,28)(H,23,25,29)
InChIKeyAZPAFQSMESXFOR-UHFFFAOYSA-N
XLogP2.21
TPSA137.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.56
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-chlorobenzoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55813036
N-[4-(methanesulfonamido)-3-[3-(methylamino)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride
CID 119492990
(3R)-1-(3-methyl-1,2-oxazole-5-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 94638745
N-(6-methyl-2-pyridinyl)-1-(2-nitrobenzoyl)piperidine-3-carboxamide
CID 55815492
1-(4-chlorobenzoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 51188759
N-(6-methyl-2-pyridinyl)-1-(piperidine-4-carbonyl)piperidine-3-carboxamide
CID 119855048
1-[4-(aminomethyl)benzoyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride
CID 119855077
tert-butyl 3-[(6-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate
CID 18107272
1-(2-tert-butyl-1,3-thiazole-5-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 47892218
5-acetamido-N-[3-(cyclopropanecarbonylamino)phenyl]-2-(methanesulfonamido)benzamide
CID 56515740
1-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55815469
N-(6-methyl-2-pyridinyl)-1-(2-prop-2-enylsulfanylacetyl)piperidine-3-carboxamide
CID 51092310

Frequently Asked Questions

What is the IUPAC name of 1-[5-acetamido-2-(methanesulfonamido)benzoyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 1-[5-acetamido-2-(methanesulfonamido)benzoyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide (CID 56513710) is 1-[5-acetamido-2-(methanesulfonamido)benzoyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[5-acetamido-2-(methanesulfonamido)benzoyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[5-acetamido-2-(methanesulfonamido)benzoyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide is CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)N2CCCC(C(=O)Nc3cccc(C)n3)C2)c1.
What is the InChIKey of 1-[5-acetamido-2-(methanesulfonamido)benzoyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is AZPAFQSMESXFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O5S/c1-14-6-4-8-20(23-14)25-21(29)16-7-5-11-27(13-16)22(30)18-12-17(24-15(2)28)9-10-19(18)26-33(3,31)32/h4,6,8-10,12,16,26H,5,7,11,13H2,1-3H3,(H,24,28)(H,23,25,29).
What are the key properties of 1-[5-acetamido-2-(methanesulfonamido)benzoyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
1-[5-acetamido-2-(methanesulfonamido)benzoyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 473.56 g/mol, XLogP of 2.21, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-acetamido-2-(methanesulfonamido)benzoyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 56513710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).