N-[4-(dimethylamino)phenyl]-5-methoxy-4-oxopyran-2-carboxamide

C15H16N2O4 — CID 27378268

IUPACN-[4-(dimethylamino)phenyl]-5-methoxy-4-oxopyran-2-carboxamide
SMILESCOc1coc(C(=O)Nc2ccc(N(C)C)cc2)cc1=O
InChIInChI=1S/C15H16N2O4/c1-17(2)11-6-4-10(5-7-11)16-15(19)13-8-12(18)14(20-3)9-21-13/h4-9H,1-3H3,(H,16,19)
InChIKeyIPDRBYVQJAUPMR-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.97
Rot. Bonds4

About N-[4-(dimethylamino)phenyl]-5-methoxy-4-oxopyran-2-carboxamide

N-[4-(dimethylamino)phenyl]-5-methoxy-4-oxopyran-2-carboxamide (PubChem CID 27378268) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-5-methoxy-4-oxopyran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-5-methoxy-4-oxopyran-2-carboxamide
PubChem CID27378268
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC NameN-[4-(dimethylamino)phenyl]-5-methoxy-4-oxopyran-2-carboxamide
SMILESCOc1coc(C(=O)Nc2ccc(N(C)C)cc2)cc1=O
InChIInChI=1S/C15H16N2O4/c1-17(2)11-6-4-10(5-7-11)16-15(19)13-8-12(18)14(20-3)9-21-13/h4-9H,1-3H3,(H,16,19)
InChIKeyIPDRBYVQJAUPMR-UHFFFAOYSA-N
XLogP1.97
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-5-methoxy-4-oxopyran-2-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-5-methoxy-4-oxopyran-2-carboxamide (CID 27378268) is N-[4-(dimethylamino)phenyl]-5-methoxy-4-oxopyran-2-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-5-methoxy-4-oxopyran-2-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-5-methoxy-4-oxopyran-2-carboxamide is COc1coc(C(=O)Nc2ccc(N(C)C)cc2)cc1=O.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-5-methoxy-4-oxopyran-2-carboxamide?
The InChIKey is IPDRBYVQJAUPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-17(2)11-6-4-10(5-7-11)16-15(19)13-8-12(18)14(20-3)9-21-13/h4-9H,1-3H3,(H,16,19).
What are the key properties of N-[4-(dimethylamino)phenyl]-5-methoxy-4-oxopyran-2-carboxamide?
N-[4-(dimethylamino)phenyl]-5-methoxy-4-oxopyran-2-carboxamide has a molecular weight of 288.30 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-5-methoxy-4-oxopyran-2-carboxamide is sourced from PubChem (CID 27378268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).