4-methyl-N-(2-methylbenzotriazol-4-yl)-6-(oxan-4-yl)-2-oxopyran-3-carboxamide

C19H20N4O4 — CID 170511961

IUPAC4-methyl-N-(2-methylbenzotriazol-4-yl)-6-(oxan-4-yl)-2-oxopyran-3-carboxamide
SMILESCc1cc(C2CCOCC2)oc(=O)c1C(=O)Nc1cccc2nn(C)nc12
InChIInChI=1S/C19H20N4O4/c1-11-10-15(12-6-8-26-9-7-12)27-19(25)16(11)18(24)20-13-4-3-5-14-17(13)22-23(2)21-14/h3-5,10,12H,6-9H2,1-2H3,(H,20,24)
InChIKeyIZGYBUQETVRKHZ-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.38
Rot. Bonds3

About 4-methyl-N-(2-methylbenzotriazol-4-yl)-6-(oxan-4-yl)-2-oxopyran-3-carboxamide

4-methyl-N-(2-methylbenzotriazol-4-yl)-6-(oxan-4-yl)-2-oxopyran-3-carboxamide (PubChem CID 170511961) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 4-methyl-N-(2-methylbenzotriazol-4-yl)-6-(oxan-4-yl)-2-oxopyran-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2-methylbenzotriazol-4-yl)-6-(oxan-4-yl)-2-oxopyran-3-carboxamide
PubChem CID170511961
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name4-methyl-N-(2-methylbenzotriazol-4-yl)-6-(oxan-4-yl)-2-oxopyran-3-carboxamide
SMILESCc1cc(C2CCOCC2)oc(=O)c1C(=O)Nc1cccc2nn(C)nc12
InChIInChI=1S/C19H20N4O4/c1-11-10-15(12-6-8-26-9-7-12)27-19(25)16(11)18(24)20-13-4-3-5-14-17(13)22-23(2)21-14/h3-5,10,12H,6-9H2,1-2H3,(H,20,24)
InChIKeyIZGYBUQETVRKHZ-UHFFFAOYSA-N
XLogP2.38
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-N-(2-methylbenzotriazol-4-yl)-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride
CID 171709128
4-methyl-N-(2-methylquinolin-5-yl)-2-oxo-6-(oxolan-3-yl)pyran-3-carboxamide
CID 170510231
N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide
CID 170507041
N-(2-butan-2-yl-5-methylpyrazol-3-yl)-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide
CID 170505934
4-methyl-6-(oxan-4-yl)-2-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]pyran-3-carboxamide
CID 170508114
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-[(2-methylimidazol-1-yl)methyl]phenyl]-2-oxo-6-(oxolan-3-yl)pyran-3-carboxamide
CID 170511216
4-methyl-N-(1-methylindazol-3-yl)-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride
CID 171711229
N-(2,3-dihydro-1H-inden-4-yl)-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide
CID 170507768
4-methyl-N-(2-methyl-1H-benzimidazol-4-yl)-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide
CID 170502476
N-[(3-chloro-2-pyridinyl)methyl]-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide
CID 170505961

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylbenzotriazol-4-yl)-6-(oxan-4-yl)-2-oxopyran-3-carboxamide?
The IUPAC name of 4-methyl-N-(2-methylbenzotriazol-4-yl)-6-(oxan-4-yl)-2-oxopyran-3-carboxamide (CID 170511961) is 4-methyl-N-(2-methylbenzotriazol-4-yl)-6-(oxan-4-yl)-2-oxopyran-3-carboxamide.
What is the SMILES notation for 4-methyl-N-(2-methylbenzotriazol-4-yl)-6-(oxan-4-yl)-2-oxopyran-3-carboxamide?
The canonical SMILES for 4-methyl-N-(2-methylbenzotriazol-4-yl)-6-(oxan-4-yl)-2-oxopyran-3-carboxamide is Cc1cc(C2CCOCC2)oc(=O)c1C(=O)Nc1cccc2nn(C)nc12.
What is the InChIKey of 4-methyl-N-(2-methylbenzotriazol-4-yl)-6-(oxan-4-yl)-2-oxopyran-3-carboxamide?
The InChIKey is IZGYBUQETVRKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-11-10-15(12-6-8-26-9-7-12)27-19(25)16(11)18(24)20-13-4-3-5-14-17(13)22-23(2)21-14/h3-5,10,12H,6-9H2,1-2H3,(H,20,24).
What are the key properties of 4-methyl-N-(2-methylbenzotriazol-4-yl)-6-(oxan-4-yl)-2-oxopyran-3-carboxamide?
4-methyl-N-(2-methylbenzotriazol-4-yl)-6-(oxan-4-yl)-2-oxopyran-3-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylbenzotriazol-4-yl)-6-(oxan-4-yl)-2-oxopyran-3-carboxamide is sourced from PubChem (CID 170511961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).