N-(3-methylphenyl)-6-oxopyran-3-carboxamide

C13H11NO3 — CID 110697514

IUPACN-(3-methylphenyl)-6-oxopyran-3-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(=O)oc2)c1
InChIInChI=1S/C13H11NO3/c1-9-3-2-4-11(7-9)14-13(16)10-5-6-12(15)17-8-10/h2-8H,1H3,(H,14,16)
InChIKeyAUAKOUSWYQXXJJ-UHFFFAOYSA-N
MW229.23 g/mol
LogP2.20
Rot. Bonds2

About N-(3-methylphenyl)-6-oxopyran-3-carboxamide

N-(3-methylphenyl)-6-oxopyran-3-carboxamide (PubChem CID 110697514) has the molecular formula C13H11NO3 and a molecular weight of 229.23 g/mol. Its IUPAC name is N-(3-methylphenyl)-6-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-6-oxopyran-3-carboxamide
PubChem CID110697514
Molecular FormulaC13H11NO3
Molecular Weight229.23 g/mol
Exact Mass229.07
IUPAC NameN-(3-methylphenyl)-6-oxopyran-3-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(=O)oc2)c1
InChIInChI=1S/C13H11NO3/c1-9-3-2-4-11(7-9)14-13(16)10-5-6-12(15)17-8-10/h2-8H,1H3,(H,14,16)
InChIKeyAUAKOUSWYQXXJJ-UHFFFAOYSA-N
XLogP2.20
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylphenyl)furan-3-carboxamide
CID 27007768
6-oxo-N-[3-(sulfamoylamino)phenyl]pyran-3-carboxamide
CID 61130491
N-(3-methylphenyl)-4-[4-[(3-methylphenyl)carbamoyl]phenoxy]benzamide
CID 3539312
1-methyl-N-(3-methylphenyl)pyrrole-3-carboxamide
CID 110762711
2-bromo-N-(3-methylphenyl)furan-3-carboxamide
CID 106852319
1-N-(4-fluorophenyl)-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109049357
1-N-methyl-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 58018070
N-(3-methylphenyl)-9-oxofluorene-2-carboxamide
CID 42064187
6-oxo-N-(3,4,5-trimethoxyphenyl)pyran-3-carboxamide
CID 110697559
3-[(3-methylphenyl)carbamoyl]benzoyl chloride
CID 101097986
3-chloro-N-(3-methylphenyl)benzamide
CID 722373
1-N-cyclopropyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109043347

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-6-oxopyran-3-carboxamide?
The IUPAC name of N-(3-methylphenyl)-6-oxopyran-3-carboxamide (CID 110697514) is N-(3-methylphenyl)-6-oxopyran-3-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-6-oxopyran-3-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-6-oxopyran-3-carboxamide is Cc1cccc(NC(=O)c2ccc(=O)oc2)c1.
What is the InChIKey of N-(3-methylphenyl)-6-oxopyran-3-carboxamide?
The InChIKey is AUAKOUSWYQXXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c1-9-3-2-4-11(7-9)14-13(16)10-5-6-12(15)17-8-10/h2-8H,1H3,(H,14,16).
What are the key properties of N-(3-methylphenyl)-6-oxopyran-3-carboxamide?
N-(3-methylphenyl)-6-oxopyran-3-carboxamide has a molecular weight of 229.23 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-6-oxopyran-3-carboxamide is sourced from PubChem (CID 110697514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).