N-[(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)methyl]-3-hydroxy-4-oxopyran-2-carboxamide

C19H19NO4 — CID 89227217

IUPACN-[(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)methyl]-3-hydroxy-4-oxopyran-2-carboxamide
SMILESO=C(NCC1=CCC(C2=CC=CCC2)C=C1)c1occc(=O)c1O
InChIInChI=1S/C19H19NO4/c21-16-10-11-24-18(17(16)22)19(23)20-12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-2,4,6-8,10-11,15,22H,3,5,9,12H2,(H,20,23)
InChIKeyQDULEWKUTSIVPX-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.85
Rot. Bonds4

About N-[(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)methyl]-3-hydroxy-4-oxopyran-2-carboxamide

N-[(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)methyl]-3-hydroxy-4-oxopyran-2-carboxamide (PubChem CID 89227217) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is N-[(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)methyl]-3-hydroxy-4-oxopyran-2-carboxamide.

Molecular Properties

Compound NameN-[(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)methyl]-3-hydroxy-4-oxopyran-2-carboxamide
PubChem CID89227217
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC NameN-[(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)methyl]-3-hydroxy-4-oxopyran-2-carboxamide
SMILESO=C(NCC1=CCC(C2=CC=CCC2)C=C1)c1occc(=O)c1O
InChIInChI=1S/C19H19NO4/c21-16-10-11-24-18(17(16)22)19(23)20-12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-2,4,6-8,10-11,15,22H,3,5,9,12H2,(H,20,23)
InChIKeyQDULEWKUTSIVPX-UHFFFAOYSA-N
XLogP2.85
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)methyl]-3-hydroxy-4-oxopyran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)methyl]-3-hydroxy-4-oxopyran-2-carboxamide?
The IUPAC name of N-[(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)methyl]-3-hydroxy-4-oxopyran-2-carboxamide (CID 89227217) is N-[(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)methyl]-3-hydroxy-4-oxopyran-2-carboxamide.
What is the SMILES notation for N-[(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)methyl]-3-hydroxy-4-oxopyran-2-carboxamide?
The canonical SMILES for N-[(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)methyl]-3-hydroxy-4-oxopyran-2-carboxamide is O=C(NCC1=CCC(C2=CC=CCC2)C=C1)c1occc(=O)c1O.
What is the InChIKey of N-[(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)methyl]-3-hydroxy-4-oxopyran-2-carboxamide?
The InChIKey is QDULEWKUTSIVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c21-16-10-11-24-18(17(16)22)19(23)20-12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-2,4,6-8,10-11,15,22H,3,5,9,12H2,(H,20,23).
What are the key properties of N-[(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)methyl]-3-hydroxy-4-oxopyran-2-carboxamide?
N-[(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)methyl]-3-hydroxy-4-oxopyran-2-carboxamide has a molecular weight of 325.36 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)methyl]-3-hydroxy-4-oxopyran-2-carboxamide is sourced from PubChem (CID 89227217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).