4-methyl-N-(2-methylbenzotriazol-4-yl)-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride

C19H22ClN5O3 — CID 171709128

IUPAC4-methyl-N-(2-methylbenzotriazol-4-yl)-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride
SMILESCc1cc(C2CCNCC2)oc(=O)c1C(=O)Nc1cccc2nn(C)nc12.Cl
InChIInChI=1S/C19H21N5O3.ClH/c1-11-10-15(12-6-8-20-9-7-12)27-19(26)16(11)18(25)21-13-4-3-5-14-17(13)23-24(2)22-14;/h3-5,10,12,20H,6-9H2,1-2H3,(H,21,25);1H
InChIKeyKRXGFIRFKBJQPB-UHFFFAOYSA-N
MW403.87 g/mol
LogP2.37
Rot. Bonds3

About 4-methyl-N-(2-methylbenzotriazol-4-yl)-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride

4-methyl-N-(2-methylbenzotriazol-4-yl)-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride (PubChem CID 171709128) has the molecular formula C19H22ClN5O3 and a molecular weight of 403.87 g/mol. Its IUPAC name is 4-methyl-N-(2-methylbenzotriazol-4-yl)-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-methyl-N-(2-methylbenzotriazol-4-yl)-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride
PubChem CID171709128
Molecular FormulaC19H22ClN5O3
Molecular Weight403.87 g/mol
Exact Mass403.14
IUPAC Name4-methyl-N-(2-methylbenzotriazol-4-yl)-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride
SMILESCc1cc(C2CCNCC2)oc(=O)c1C(=O)Nc1cccc2nn(C)nc12.Cl
InChIInChI=1S/C19H21N5O3.ClH/c1-11-10-15(12-6-8-20-9-7-12)27-19(26)16(11)18(25)21-13-4-3-5-14-17(13)23-24(2)22-14;/h3-5,10,12,20H,6-9H2,1-2H3,(H,21,25);1H
InChIKeyKRXGFIRFKBJQPB-UHFFFAOYSA-N
XLogP2.37
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.87
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-N-(2-methylbenzotriazol-4-yl)-6-(oxan-4-yl)-2-oxopyran-3-carboxamide
CID 170511961
4-methyl-N-(1-methylindazol-3-yl)-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride
CID 171711229
N-(5-fluoro-2-pyridinyl)-4-methyl-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride
CID 171713510
4-methyl-2-oxo-6-piperidin-3-yl-N-(2,5,6-trimethyl-3-pyridinyl)pyran-3-carboxamide;dihydrochloride
CID 171709033
6-cyclobutyl-4-methyl-N-(2-methyl-1-benzofuran-7-yl)-2-oxopyran-3-carboxamide
CID 170511370
6-cyclobutyl-4-methyl-N-(3-methylbenzimidazol-5-yl)-2-oxopyran-3-carboxamide
CID 170513145
4-methyl-N-(2-methylquinolin-5-yl)-2-oxo-6-(oxolan-3-yl)pyran-3-carboxamide
CID 170510231
4-methyl-2-oxo-6-piperidin-4-yl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyran-3-carboxamide;hydrochloride
CID 171709744
4-methyl-N-(2-methyl-1H-benzimidazol-4-yl)-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide
CID 170502476
N-(6,7-dimethyl-3H-benzimidazol-5-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride
CID 171991734
N-[2-fluoro-5-(1,2,4-triazol-4-yl)phenyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 171386392
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-methyl-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride
CID 171709461

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylbenzotriazol-4-yl)-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride?
The IUPAC name of 4-methyl-N-(2-methylbenzotriazol-4-yl)-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride (CID 171709128) is 4-methyl-N-(2-methylbenzotriazol-4-yl)-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride.
What is the SMILES notation for 4-methyl-N-(2-methylbenzotriazol-4-yl)-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride?
The canonical SMILES for 4-methyl-N-(2-methylbenzotriazol-4-yl)-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride is Cc1cc(C2CCNCC2)oc(=O)c1C(=O)Nc1cccc2nn(C)nc12.Cl.
What is the InChIKey of 4-methyl-N-(2-methylbenzotriazol-4-yl)-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride?
The InChIKey is KRXGFIRFKBJQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3.ClH/c1-11-10-15(12-6-8-20-9-7-12)27-19(26)16(11)18(25)21-13-4-3-5-14-17(13)23-24(2)22-14;/h3-5,10,12,20H,6-9H2,1-2H3,(H,21,25);1H.
What are the key properties of 4-methyl-N-(2-methylbenzotriazol-4-yl)-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride?
4-methyl-N-(2-methylbenzotriazol-4-yl)-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride has a molecular weight of 403.87 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylbenzotriazol-4-yl)-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride is sourced from PubChem (CID 171709128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).