4-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-oxo-6-piperidin-3-ylpyran-3-carboxamide

C17H23N5O3 — CID 169412165

IUPAC4-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
SMILESCc1nc(CCNC(=O)c2c(C)cc(C3CCCNC3)oc2=O)n[nH]1
InChIInChI=1S/C17H23N5O3/c1-10-8-13(12-4-3-6-18-9-12)25-17(24)15(10)16(23)19-7-5-14-20-11(2)21-22-14/h8,12,18H,3-7,9H2,1-2H3,(H,19,23)(H,20,21,22)
InChIKeyKWOWOSWWXXBUSY-UHFFFAOYSA-N
MW345.40 g/mol
LogP0.81
Rot. Bonds5

About 4-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-oxo-6-piperidin-3-ylpyran-3-carboxamide

4-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-oxo-6-piperidin-3-ylpyran-3-carboxamide (PubChem CID 169412165) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 4-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-oxo-6-piperidin-3-ylpyran-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
PubChem CID169412165
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name4-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
SMILESCc1nc(CCNC(=O)c2c(C)cc(C3CCCNC3)oc2=O)n[nH]1
InChIInChI=1S/C17H23N5O3/c1-10-8-13(12-4-3-6-18-9-12)25-17(24)15(10)16(23)19-7-5-14-20-11(2)21-22-14/h8,12,18H,3-7,9H2,1-2H3,(H,19,23)(H,20,21,22)
InChIKeyKWOWOSWWXXBUSY-UHFFFAOYSA-N
XLogP0.81
TPSA112.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-oxo-6-piperidin-3-ylpyran-3-carboxamide with MolForge

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Related Compounds

N-[2-(3,5-dimethyl-2-pyridinyl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170507480
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
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride
CID 171710142
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-[3-(4-methylpyrazol-1-yl)propyl]-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride
CID 171710778
4-methyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride
CID 171710954
4-methyl-2-oxo-N-(2-phenylmethoxyethyl)-6-piperidin-3-ylpyran-3-carboxamide
CID 170512267
N-methyl-5-[[(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide;hydrochloride
CID 171710788
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-(2,5,6-trimethyl-3-pyridinyl)pyran-3-carboxamide;dihydrochloride
CID 171709033
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-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170504651

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-oxo-6-piperidin-3-ylpyran-3-carboxamide?
The IUPAC name of 4-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-oxo-6-piperidin-3-ylpyran-3-carboxamide (CID 169412165) is 4-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-oxo-6-piperidin-3-ylpyran-3-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-oxo-6-piperidin-3-ylpyran-3-carboxamide?
The canonical SMILES for 4-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-oxo-6-piperidin-3-ylpyran-3-carboxamide is Cc1nc(CCNC(=O)c2c(C)cc(C3CCCNC3)oc2=O)n[nH]1.
What is the InChIKey of 4-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-oxo-6-piperidin-3-ylpyran-3-carboxamide?
The InChIKey is KWOWOSWWXXBUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-10-8-13(12-4-3-6-18-9-12)25-17(24)15(10)16(23)19-7-5-14-20-11(2)21-22-14/h8,12,18H,3-7,9H2,1-2H3,(H,19,23)(H,20,21,22).
What are the key properties of 4-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-oxo-6-piperidin-3-ylpyran-3-carboxamide?
4-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-oxo-6-piperidin-3-ylpyran-3-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 0.81, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-oxo-6-piperidin-3-ylpyran-3-carboxamide is sourced from PubChem (CID 169412165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).