5-benzamido-2-methyl-6-oxopyran-3-carboxamide

C14H12N2O4 — CID 1483620

IUPAC5-benzamido-2-methyl-6-oxopyran-3-carboxamide
SMILESCc1oc(=O)c(NC(=O)c2ccccc2)cc1C(N)=O
InChIInChI=1S/C14H12N2O4/c1-8-10(12(15)17)7-11(14(19)20-8)16-13(18)9-5-3-2-4-6-9/h2-7H,1H3,(H2,15,17)(H,16,18)
InChIKeyWFLLZFUNUCRNBH-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.30
Rot. Bonds3

About 5-benzamido-2-methyl-6-oxopyran-3-carboxamide

5-benzamido-2-methyl-6-oxopyran-3-carboxamide (PubChem CID 1483620) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 5-benzamido-2-methyl-6-oxopyran-3-carboxamide.

Molecular Properties

Compound Name5-benzamido-2-methyl-6-oxopyran-3-carboxamide
PubChem CID1483620
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name5-benzamido-2-methyl-6-oxopyran-3-carboxamide
SMILESCc1oc(=O)c(NC(=O)c2ccccc2)cc1C(N)=O
InChIInChI=1S/C14H12N2O4/c1-8-10(12(15)17)7-11(14(19)20-8)16-13(18)9-5-3-2-4-6-9/h2-7H,1H3,(H2,15,17)(H,16,18)
InChIKeyWFLLZFUNUCRNBH-UHFFFAOYSA-N
XLogP1.30
TPSA102.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-(benzoylamino)-5-phenyl-2,4-pentadienoate
CID 5338179
2-Propenoic acid, 2-benzoylamino-3-phenyl-, ethyl ester
CID 5369686
Methyl 2-(benzoylamino)-5-phenyl-2,4-pentadienoate
CID 5719594
N-(5-acetyl-6-methyl-2-oxo-2H-pyran-3-yl)-4-nitrobenzenecarboxamide
CID 1475731
N-(5-Benzoyl-6-methyl-2-oxo-2H-pyran-3-yl)-3-chlorobenzamide
CID 1483052
N-(2,5-dioxo-5,6,7,8-tetrahydro-2H-chromen-3-yl)-4-methylbenzenecarboxamide
CID 1483057
2-Propyn-1-yl (benzoylamino)(cyclohexylidene)acetate
CID 2282522
Benzamide, N-(5-benzoyl-6-methyl-2-oxo-2H-pyran-3-yl)-
CID 2737848
Ethyl 3-methyl-2-(phenylformamido)but-2-enoate
CID 9550229
2-Butenoic acid, 2-(benzoylamino)-3-methyl-, methyl ester
CID 657545
Benzamide, N-(5-acetyl-6-methyl-2-oxo-2H-pyran-3-yl)-
CID 677972
Benzamide, N-(5,6,7,8-tetrahydro-2,5-dioxo-2H-1-benzopyran-3-yl)-
CID 3822112

Frequently Asked Questions

What is the IUPAC name of 5-benzamido-2-methyl-6-oxopyran-3-carboxamide?
The IUPAC name of 5-benzamido-2-methyl-6-oxopyran-3-carboxamide (CID 1483620) is 5-benzamido-2-methyl-6-oxopyran-3-carboxamide.
What is the SMILES notation for 5-benzamido-2-methyl-6-oxopyran-3-carboxamide?
The canonical SMILES for 5-benzamido-2-methyl-6-oxopyran-3-carboxamide is Cc1oc(=O)c(NC(=O)c2ccccc2)cc1C(N)=O.
What is the InChIKey of 5-benzamido-2-methyl-6-oxopyran-3-carboxamide?
The InChIKey is WFLLZFUNUCRNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-8-10(12(15)17)7-11(14(19)20-8)16-13(18)9-5-3-2-4-6-9/h2-7H,1H3,(H2,15,17)(H,16,18).
What are the key properties of 5-benzamido-2-methyl-6-oxopyran-3-carboxamide?
5-benzamido-2-methyl-6-oxopyran-3-carboxamide has a molecular weight of 272.26 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzamido-2-methyl-6-oxopyran-3-carboxamide is sourced from PubChem (CID 1483620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).