N-(2,1,3-benzoxadiazol-4-yl)-2,4-dimethyl-6-oxopyran-3-carboxamide

C14H11N3O4 — CID 662052

IUPACN-(2,1,3-benzoxadiazol-4-yl)-2,4-dimethyl-6-oxopyran-3-carboxamide
SMILESCc1cc(=O)oc(C)c1C(=O)Nc1cccc2nonc12
InChIInChI=1S/C14H11N3O4/c1-7-6-11(18)20-8(2)12(7)14(19)15-9-4-3-5-10-13(9)17-21-16-10/h3-6H,1-2H3,(H,15,19)
InChIKeyYOHBCDKKKWMDMQ-UHFFFAOYSA-N
MW285.26 g/mol
LogP2.05
Rot. Bonds2

About N-(2,1,3-benzoxadiazol-4-yl)-2,4-dimethyl-6-oxopyran-3-carboxamide

N-(2,1,3-benzoxadiazol-4-yl)-2,4-dimethyl-6-oxopyran-3-carboxamide (PubChem CID 662052) has the molecular formula C14H11N3O4 and a molecular weight of 285.26 g/mol. Its IUPAC name is N-(2,1,3-benzoxadiazol-4-yl)-2,4-dimethyl-6-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-(2,1,3-benzoxadiazol-4-yl)-2,4-dimethyl-6-oxopyran-3-carboxamide
PubChem CID662052
Molecular FormulaC14H11N3O4
Molecular Weight285.26 g/mol
Exact Mass285.07
IUPAC NameN-(2,1,3-benzoxadiazol-4-yl)-2,4-dimethyl-6-oxopyran-3-carboxamide
SMILESCc1cc(=O)oc(C)c1C(=O)Nc1cccc2nonc12
InChIInChI=1S/C14H11N3O4/c1-7-6-11(18)20-8(2)12(7)14(19)15-9-4-3-5-10-13(9)17-21-16-10/h3-6H,1-2H3,(H,15,19)
InChIKeyYOHBCDKKKWMDMQ-UHFFFAOYSA-N
XLogP2.05
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzoxadiazol-4-yl)-2,4-dimethyl-6-oxopyran-3-carboxamide?
The IUPAC name of N-(2,1,3-benzoxadiazol-4-yl)-2,4-dimethyl-6-oxopyran-3-carboxamide (CID 662052) is N-(2,1,3-benzoxadiazol-4-yl)-2,4-dimethyl-6-oxopyran-3-carboxamide.
What is the SMILES notation for N-(2,1,3-benzoxadiazol-4-yl)-2,4-dimethyl-6-oxopyran-3-carboxamide?
The canonical SMILES for N-(2,1,3-benzoxadiazol-4-yl)-2,4-dimethyl-6-oxopyran-3-carboxamide is Cc1cc(=O)oc(C)c1C(=O)Nc1cccc2nonc12.
What is the InChIKey of N-(2,1,3-benzoxadiazol-4-yl)-2,4-dimethyl-6-oxopyran-3-carboxamide?
The InChIKey is YOHBCDKKKWMDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O4/c1-7-6-11(18)20-8(2)12(7)14(19)15-9-4-3-5-10-13(9)17-21-16-10/h3-6H,1-2H3,(H,15,19).
What are the key properties of N-(2,1,3-benzoxadiazol-4-yl)-2,4-dimethyl-6-oxopyran-3-carboxamide?
N-(2,1,3-benzoxadiazol-4-yl)-2,4-dimethyl-6-oxopyran-3-carboxamide has a molecular weight of 285.26 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzoxadiazol-4-yl)-2,4-dimethyl-6-oxopyran-3-carboxamide is sourced from PubChem (CID 662052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).