N-(6-amino-5-methyl-3-pyridinyl)-2-[2-(1,3-benzothiazol-5-yl)-2-methylpiperidin-1-yl]-2-oxoacetamide

C21H23N5O2S — CID 175470698

IUPACN-(6-amino-5-methyl-3-pyridinyl)-2-[2-(1,3-benzothiazol-5-yl)-2-methylpiperidin-1-yl]-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)N2CCCCC2(C)c2ccc3scnc3c2)cnc1N
InChIInChI=1S/C21H23N5O2S/c1-13-9-15(11-23-18(13)22)25-19(27)20(28)26-8-4-3-7-21(26,2)14-5-6-17-16(10-14)24-12-29-17/h5-6,9-12H,3-4,7-8H2,1-2H3,(H2,22,23)(H,25,27)
InChIKeyRRZLOHHUISXDQI-UHFFFAOYSA-N
MW409.52 g/mol
LogP3.45
Rot. Bonds2

About N-(6-amino-5-methyl-3-pyridinyl)-2-[2-(1,3-benzothiazol-5-yl)-2-methylpiperidin-1-yl]-2-oxoacetamide

N-(6-amino-5-methyl-3-pyridinyl)-2-[2-(1,3-benzothiazol-5-yl)-2-methylpiperidin-1-yl]-2-oxoacetamide (PubChem CID 175470698) has the molecular formula C21H23N5O2S and a molecular weight of 409.52 g/mol. Its IUPAC name is N-(6-amino-5-methyl-3-pyridinyl)-2-[2-(1,3-benzothiazol-5-yl)-2-methylpiperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(6-amino-5-methyl-3-pyridinyl)-2-[2-(1,3-benzothiazol-5-yl)-2-methylpiperidin-1-yl]-2-oxoacetamide
PubChem CID175470698
Molecular FormulaC21H23N5O2S
Molecular Weight409.52 g/mol
Exact Mass409.16
IUPAC NameN-(6-amino-5-methyl-3-pyridinyl)-2-[2-(1,3-benzothiazol-5-yl)-2-methylpiperidin-1-yl]-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)N2CCCCC2(C)c2ccc3scnc3c2)cnc1N
InChIInChI=1S/C21H23N5O2S/c1-13-9-15(11-23-18(13)22)25-19(27)20(28)26-8-4-3-7-21(26,2)14-5-6-17-16(10-14)24-12-29-17/h5-6,9-12H,3-4,7-8H2,1-2H3,(H2,22,23)(H,25,27)
InChIKeyRRZLOHHUISXDQI-UHFFFAOYSA-N
XLogP3.45
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-cyclopentyl-2-methylpiperidin-1-yl]-2-oxoacetamide
CID 175637834
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2,5-dimethyl-2-[4-(1,3-thiazol-5-yl)phenyl]piperidin-1-yl]-2-oxoacetamide
CID 175637697
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(3,4-difluorophenyl)-4,4-difluoro-2,5-dimethylpiperidin-1-yl]-2-oxoacetamide
CID 175637336
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2,5-dimethyl-2-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoacetamide
CID 175638055
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2-[3-chloro-4-(trifluoromethyl)phenyl]-2,5-dimethylpiperidin-1-yl]-2-oxoacetamide
CID 175637964
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,4S,5S)-2-(1,3-benzothiazol-5-yl)-5-methyl-4-(2-methylpropyl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,4R,5S)-2-(1,3-benzothiazol-5-yl)-5-methyl-4-(2-methylpropyl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(1,3-benzothiazol-5-yl)-5-methyl-4-(2-methylpropyl)piperidin-1-yl]-2-oxoacetamide
CID 165094678
N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R)-2-phenylpiperidin-1-yl]acetamide
CID 164753661
N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2S,5S)-2-(1,3-benzothiazol-5-yl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 164750876
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
N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5S)-2,5-dimethyl-2-[4-(methylamino)phenyl]piperidin-1-yl]-2-oxoacetamide
CID 175637938
N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5S)-2-(6-amino-3-pyridinyl)-2,5-dimethylpiperidin-1-yl]-2-oxoacetamide
CID 175637165

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-5-methyl-3-pyridinyl)-2-[2-(1,3-benzothiazol-5-yl)-2-methylpiperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(6-amino-5-methyl-3-pyridinyl)-2-[2-(1,3-benzothiazol-5-yl)-2-methylpiperidin-1-yl]-2-oxoacetamide (CID 175470698) is N-(6-amino-5-methyl-3-pyridinyl)-2-[2-(1,3-benzothiazol-5-yl)-2-methylpiperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(6-amino-5-methyl-3-pyridinyl)-2-[2-(1,3-benzothiazol-5-yl)-2-methylpiperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(6-amino-5-methyl-3-pyridinyl)-2-[2-(1,3-benzothiazol-5-yl)-2-methylpiperidin-1-yl]-2-oxoacetamide is Cc1cc(NC(=O)C(=O)N2CCCCC2(C)c2ccc3scnc3c2)cnc1N.
What is the InChIKey of N-(6-amino-5-methyl-3-pyridinyl)-2-[2-(1,3-benzothiazol-5-yl)-2-methylpiperidin-1-yl]-2-oxoacetamide?
The InChIKey is RRZLOHHUISXDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2S/c1-13-9-15(11-23-18(13)22)25-19(27)20(28)26-8-4-3-7-21(26,2)14-5-6-17-16(10-14)24-12-29-17/h5-6,9-12H,3-4,7-8H2,1-2H3,(H2,22,23)(H,25,27).
What are the key properties of N-(6-amino-5-methyl-3-pyridinyl)-2-[2-(1,3-benzothiazol-5-yl)-2-methylpiperidin-1-yl]-2-oxoacetamide?
N-(6-amino-5-methyl-3-pyridinyl)-2-[2-(1,3-benzothiazol-5-yl)-2-methylpiperidin-1-yl]-2-oxoacetamide has a molecular weight of 409.52 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-5-methyl-3-pyridinyl)-2-[2-(1,3-benzothiazol-5-yl)-2-methylpiperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 175470698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).