N-methyl-5-[[(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide;hydrochloride

C17H22ClN5O5 — CID 171710788

IUPACN-methyl-5-[[(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide;hydrochloride
SMILESCNC(=O)c1noc(CNC(=O)c2c(C)cc(C3CCCNC3)oc2=O)n1.Cl
InChIInChI=1S/C17H21N5O5.ClH/c1-9-6-11(10-4-3-5-19-7-10)26-17(25)13(9)15(23)20-8-12-21-14(22-27-12)16(24)18-2;/h6,10,19H,3-5,7-8H2,1-2H3,(H,18,24)(H,20,23);1H
InChIKeyDQLWXBAHZUVWEF-UHFFFAOYSA-N
MW411.85 g/mol
LogP0.51
Rot. Bonds5

About N-methyl-5-[[(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide;hydrochloride

N-methyl-5-[[(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide;hydrochloride (PubChem CID 171710788) has the molecular formula C17H22ClN5O5 and a molecular weight of 411.85 g/mol. Its IUPAC name is N-methyl-5-[[(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-5-[[(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide;hydrochloride
PubChem CID171710788
Molecular FormulaC17H22ClN5O5
Molecular Weight411.85 g/mol
Exact Mass411.13
IUPAC NameN-methyl-5-[[(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide;hydrochloride
SMILESCNC(=O)c1noc(CNC(=O)c2c(C)cc(C3CCCNC3)oc2=O)n1.Cl
InChIInChI=1S/C17H21N5O5.ClH/c1-9-6-11(10-4-3-5-19-7-10)26-17(25)13(9)15(23)20-8-12-21-14(22-27-12)16(24)18-2;/h6,10,19H,3-5,7-8H2,1-2H3,(H,18,24)(H,20,23);1H
InChIKeyDQLWXBAHZUVWEF-UHFFFAOYSA-N
XLogP0.51
TPSA139.36 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.85
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

4-methyl-2-oxo-6-piperidin-3-yl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyran-3-carboxamide;hydrochloride
CID 171707518
4-methyl-2-oxo-6-piperidin-3-yl-N-(2,5,6-trimethyl-3-pyridinyl)pyran-3-carboxamide;dihydrochloride
CID 171709033
4-methyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride
CID 171710954
N-(1H-benzimidazol-2-ylmethyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170513093
4-methyl-2-oxo-6-piperidin-3-yl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyran-3-carboxamide;hydrochloride
CID 171709894
4-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 169412165
4-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride
CID 171710778
N-[2-(3,5-dimethyl-2-pyridinyl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170507480
N-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170504651
4-methyl-N-[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)methyl]-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 171911433
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride
CID 171710983
N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170506338

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[[(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide;hydrochloride?
The IUPAC name of N-methyl-5-[[(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide;hydrochloride (CID 171710788) is N-methyl-5-[[(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-methyl-5-[[(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-methyl-5-[[(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide;hydrochloride is CNC(=O)c1noc(CNC(=O)c2c(C)cc(C3CCCNC3)oc2=O)n1.Cl.
What is the InChIKey of N-methyl-5-[[(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide;hydrochloride?
The InChIKey is DQLWXBAHZUVWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O5.ClH/c1-9-6-11(10-4-3-5-19-7-10)26-17(25)13(9)15(23)20-8-12-21-14(22-27-12)16(24)18-2;/h6,10,19H,3-5,7-8H2,1-2H3,(H,18,24)(H,20,23);1H.
What are the key properties of N-methyl-5-[[(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide;hydrochloride?
N-methyl-5-[[(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide;hydrochloride has a molecular weight of 411.85 g/mol, XLogP of 0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[[(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 171710788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).