4-methyl-2-oxo-6-piperidin-3-yl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyran-3-carboxamide;hydrochloride

C20H23ClN6O3 — CID 171707282

IUPAC4-methyl-2-oxo-6-piperidin-3-yl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyran-3-carboxamide;hydrochloride
SMILESCc1cc(C2CCCNC2)oc(=O)c1C(=O)NCc1cccnc1-n1cncn1.Cl
InChIInChI=1S/C20H22N6O3.ClH/c1-13-8-16(14-4-2-6-21-9-14)29-20(28)17(13)19(27)24-10-15-5-3-7-23-18(15)26-12-22-11-25-26;/h3,5,7-8,11-12,14,21H,2,4,6,9-10H2,1H3,(H,24,27);1H
InChIKeyUIFNRJLDYUKBMZ-UHFFFAOYSA-N
MW430.90 g/mol
LogP1.74
Rot. Bonds5

About 4-methyl-2-oxo-6-piperidin-3-yl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyran-3-carboxamide;hydrochloride

4-methyl-2-oxo-6-piperidin-3-yl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyran-3-carboxamide;hydrochloride (PubChem CID 171707282) has the molecular formula C20H23ClN6O3 and a molecular weight of 430.90 g/mol. Its IUPAC name is 4-methyl-2-oxo-6-piperidin-3-yl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyran-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-methyl-2-oxo-6-piperidin-3-yl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyran-3-carboxamide;hydrochloride
PubChem CID171707282
Molecular FormulaC20H23ClN6O3
Molecular Weight430.90 g/mol
Exact Mass430.15
IUPAC Name4-methyl-2-oxo-6-piperidin-3-yl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyran-3-carboxamide;hydrochloride
SMILESCc1cc(C2CCCNC2)oc(=O)c1C(=O)NCc1cccnc1-n1cncn1.Cl
InChIInChI=1S/C20H22N6O3.ClH/c1-13-8-16(14-4-2-6-21-9-14)29-20(28)17(13)19(27)24-10-15-5-3-7-23-18(15)26-12-22-11-25-26;/h3,5,7-8,11-12,14,21H,2,4,6,9-10H2,1H3,(H,24,27);1H
InChIKeyUIFNRJLDYUKBMZ-UHFFFAOYSA-N
XLogP1.74
TPSA114.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.90
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-methyl-2-oxo-6-piperidin-3-yl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyran-3-carboxamide;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

N-(3-hydroxy-2-pyridinyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170509910
4-methyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride
CID 171710954
1-[[(3S)-piperidin-3-yl]methyl]-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]triazole-4-carboxamide
CID 95222094
N-(1H-benzimidazol-2-ylmethyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170513093
N-(4-ethyl-2-pyridinyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170504297
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
N-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170504651
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-N-[3-(4-methylpyrazol-1-yl)propyl]-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride
CID 171710778
N-methyl-5-[[(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide;hydrochloride
CID 171710788
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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-6-piperidin-3-yl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyran-3-carboxamide;hydrochloride?
The IUPAC name of 4-methyl-2-oxo-6-piperidin-3-yl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyran-3-carboxamide;hydrochloride (CID 171707282) is 4-methyl-2-oxo-6-piperidin-3-yl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyran-3-carboxamide;hydrochloride.
What is the SMILES notation for 4-methyl-2-oxo-6-piperidin-3-yl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyran-3-carboxamide;hydrochloride?
The canonical SMILES for 4-methyl-2-oxo-6-piperidin-3-yl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyran-3-carboxamide;hydrochloride is Cc1cc(C2CCCNC2)oc(=O)c1C(=O)NCc1cccnc1-n1cncn1.Cl.
What is the InChIKey of 4-methyl-2-oxo-6-piperidin-3-yl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyran-3-carboxamide;hydrochloride?
The InChIKey is UIFNRJLDYUKBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3.ClH/c1-13-8-16(14-4-2-6-21-9-14)29-20(28)17(13)19(27)24-10-15-5-3-7-23-18(15)26-12-22-11-25-26;/h3,5,7-8,11-12,14,21H,2,4,6,9-10H2,1H3,(H,24,27);1H.
What are the key properties of 4-methyl-2-oxo-6-piperidin-3-yl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyran-3-carboxamide;hydrochloride?
4-methyl-2-oxo-6-piperidin-3-yl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyran-3-carboxamide;hydrochloride has a molecular weight of 430.90 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-6-piperidin-3-yl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyran-3-carboxamide;hydrochloride is sourced from PubChem (CID 171707282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).