N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S)-2-[6-(methanesulfonamido)-3-pyridinyl]piperidin-1-yl]-2-oxoacetamide

C20H26N6O4S — CID 167033183

IUPACN-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S)-2-[6-(methanesulfonamido)-3-pyridinyl]piperidin-1-yl]-2-oxoacetamide
SMILESCCc1cc(NC(=O)C(=O)N2CCCC[C@H]2c2ccc(NS(C)(=O)=O)nc2)cnc1N
InChIInChI=1S/C20H26N6O4S/c1-3-13-10-15(12-23-18(13)21)24-19(27)20(28)26-9-5-4-6-16(26)14-7-8-17(22-11-14)25-31(2,29)30/h7-8,10-12,16H,3-6,9H2,1-2H3,(H2,21,23)(H,22,25)(H,24,27)/t16-/m0/s1
InChIKeyDJZIEVZLOMZVNZ-INIZCTEOSA-N
MW446.53 g/mol
LogP1.68
Rot. Bonds5

About N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S)-2-[6-(methanesulfonamido)-3-pyridinyl]piperidin-1-yl]-2-oxoacetamide

N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S)-2-[6-(methanesulfonamido)-3-pyridinyl]piperidin-1-yl]-2-oxoacetamide (PubChem CID 167033183) has the molecular formula C20H26N6O4S and a molecular weight of 446.53 g/mol. Its IUPAC name is N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S)-2-[6-(methanesulfonamido)-3-pyridinyl]piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S)-2-[6-(methanesulfonamido)-3-pyridinyl]piperidin-1-yl]-2-oxoacetamide
PubChem CID167033183
Molecular FormulaC20H26N6O4S
Molecular Weight446.53 g/mol
Exact Mass446.17
IUPAC NameN-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S)-2-[6-(methanesulfonamido)-3-pyridinyl]piperidin-1-yl]-2-oxoacetamide
SMILESCCc1cc(NC(=O)C(=O)N2CCCC[C@H]2c2ccc(NS(C)(=O)=O)nc2)cnc1N
InChIInChI=1S/C20H26N6O4S/c1-3-13-10-15(12-23-18(13)21)24-19(27)20(28)26-9-5-4-6-16(26)14-7-8-17(22-11-14)25-31(2,29)30/h7-8,10-12,16H,3-6,9H2,1-2H3,(H2,21,23)(H,22,25)(H,24,27)/t16-/m0/s1
InChIKeyDJZIEVZLOMZVNZ-INIZCTEOSA-N
XLogP1.68
TPSA147.38 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5R)-2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 165076589
tert-butyl N-[3-ethyl-5-[[2-[2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-pyridinyl]carbamate
CID 164753377
2-methoxy-5-[[2-[(2S)-2-[6-(methylamino)-3-pyridinyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 167033457
N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R)-2-phenylpiperidin-1-yl]acetamide
CID 164753661
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3-hydroxy-4-methylphenyl)piperidin-1-yl]-2-oxoacetamide
CID 175637266
N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]acetamide
CID 164750958
5-[[2-[2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide
CID 164752908
2-[(2S,5R)-2-(4-acetamidophenyl)-5-methylpiperidin-1-yl]-N-(6-amino-5-ethyl-3-pyridinyl)-2-oxoacetamide
CID 166022591
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3-chloro-4-fluorophenyl)piperidin-1-yl]-2-oxoacetamide
CID 167033401
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-[3-(methylamino)phenyl]piperidin-1-yl]-2-oxoacetamide
CID 164751109
N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[3-[[(2R)-1-methylpiperidin-2-yl]methyl]phenyl]piperidin-1-yl]-2-oxoacetamide
CID 166022529
N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[3-[(3R)-1-methylpyrrolidin-3-yl]phenyl]piperidin-1-yl]-2-oxoacetamide
CID 166022686

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S)-2-[6-(methanesulfonamido)-3-pyridinyl]piperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S)-2-[6-(methanesulfonamido)-3-pyridinyl]piperidin-1-yl]-2-oxoacetamide (CID 167033183) is N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S)-2-[6-(methanesulfonamido)-3-pyridinyl]piperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S)-2-[6-(methanesulfonamido)-3-pyridinyl]piperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S)-2-[6-(methanesulfonamido)-3-pyridinyl]piperidin-1-yl]-2-oxoacetamide is CCc1cc(NC(=O)C(=O)N2CCCC[C@H]2c2ccc(NS(C)(=O)=O)nc2)cnc1N.
What is the InChIKey of N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S)-2-[6-(methanesulfonamido)-3-pyridinyl]piperidin-1-yl]-2-oxoacetamide?
The InChIKey is DJZIEVZLOMZVNZ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H26N6O4S/c1-3-13-10-15(12-23-18(13)21)24-19(27)20(28)26-9-5-4-6-16(26)14-7-8-17(22-11-14)25-31(2,29)30/h7-8,10-12,16H,3-6,9H2,1-2H3,(H2,21,23)(H,22,25)(H,24,27)/t16-/m0/s1.
What are the key properties of N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S)-2-[6-(methanesulfonamido)-3-pyridinyl]piperidin-1-yl]-2-oxoacetamide?
N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S)-2-[6-(methanesulfonamido)-3-pyridinyl]piperidin-1-yl]-2-oxoacetamide has a molecular weight of 446.53 g/mol, XLogP of 1.68, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S)-2-[6-(methanesulfonamido)-3-pyridinyl]piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 167033183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).