N-(4-methoxyphenyl)-6-oxopyran-3-carboxamide

C13H11NO4 — CID 946220

IUPACN-(4-methoxyphenyl)-6-oxopyran-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(=O)oc2)cc1
InChIInChI=1S/C13H11NO4/c1-17-11-5-3-10(4-6-11)14-13(16)9-2-7-12(15)18-8-9/h2-8H,1H3,(H,14,16)
InChIKeyANBAZUFMYNLSMG-UHFFFAOYSA-N
MW245.23 g/mol
LogP1.90
Rot. Bonds3

About N-(4-methoxyphenyl)-6-oxopyran-3-carboxamide

N-(4-methoxyphenyl)-6-oxopyran-3-carboxamide (PubChem CID 946220) has the molecular formula C13H11NO4 and a molecular weight of 245.23 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-6-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-6-oxopyran-3-carboxamide
PubChem CID946220
Molecular FormulaC13H11NO4
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC NameN-(4-methoxyphenyl)-6-oxopyran-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(=O)oc2)cc1
InChIInChI=1S/C13H11NO4/c1-17-11-5-3-10(4-6-11)14-13(16)9-2-7-12(15)18-8-9/h2-8H,1H3,(H,14,16)
InChIKeyANBAZUFMYNLSMG-UHFFFAOYSA-N
XLogP1.90
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-6-oxopyran-3-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-6-oxopyran-3-carboxamide (CID 946220) is N-(4-methoxyphenyl)-6-oxopyran-3-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-6-oxopyran-3-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-6-oxopyran-3-carboxamide is COc1ccc(NC(=O)c2ccc(=O)oc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-6-oxopyran-3-carboxamide?
The InChIKey is ANBAZUFMYNLSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4/c1-17-11-5-3-10(4-6-11)14-13(16)9-2-7-12(15)18-8-9/h2-8H,1H3,(H,14,16).
What are the key properties of N-(4-methoxyphenyl)-6-oxopyran-3-carboxamide?
N-(4-methoxyphenyl)-6-oxopyran-3-carboxamide has a molecular weight of 245.23 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-6-oxopyran-3-carboxamide is sourced from PubChem (CID 946220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).