4-oxo-N,2,5,6-tetraphenylpyran-3-carboxamide

C30H21NO3 — CID 164685853

IUPAC4-oxo-N,2,5,6-tetraphenylpyran-3-carboxamide
SMILESO=C(Nc1ccccc1)c1c(-c2ccccc2)oc(-c2ccccc2)c(-c2ccccc2)c1=O
InChIInChI=1S/C30H21NO3/c32-27-25(21-13-5-1-6-14-21)28(22-15-7-2-8-16-22)34-29(23-17-9-3-10-18-23)26(27)30(33)31-24-19-11-4-12-20-24/h1-20H,(H,31,33)
InChIKeyUURDMUXNPUAFCA-UHFFFAOYSA-N
MW443.50 g/mol
LogP6.89
Rot. Bonds5

About 4-oxo-N,2,5,6-tetraphenylpyran-3-carboxamide

4-oxo-N,2,5,6-tetraphenylpyran-3-carboxamide (PubChem CID 164685853) has the molecular formula C30H21NO3 and a molecular weight of 443.50 g/mol. Its IUPAC name is 4-oxo-N,2,5,6-tetraphenylpyran-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N,2,5,6-tetraphenylpyran-3-carboxamide
PubChem CID164685853
Molecular FormulaC30H21NO3
Molecular Weight443.50 g/mol
Exact Mass443.15
IUPAC Name4-oxo-N,2,5,6-tetraphenylpyran-3-carboxamide
SMILESO=C(Nc1ccccc1)c1c(-c2ccccc2)oc(-c2ccccc2)c(-c2ccccc2)c1=O
InChIInChI=1S/C30H21NO3/c32-27-25(21-13-5-1-6-14-21)28(22-15-7-2-8-16-22)34-29(23-17-9-3-10-18-23)26(27)30(33)31-24-19-11-4-12-20-24/h1-20H,(H,31,33)
InChIKeyUURDMUXNPUAFCA-UHFFFAOYSA-N
XLogP6.89
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.50
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-bis(4-methylphenyl)-3-N,4-N-diphenylfuran-3,4-dicarboxamide
CID 10576901
methyl 2-methyl-4-oxo-5,6-diphenylpyran-3-carboxylate
CID 164684371
N-benzyl-2,4,5-triphenylfuran-3-carboxamide
CID 132516883
2-(4-chlorophenyl)-6-methyl-4-oxo-N-phenylpyran-3-carboxamide
CID 14128678
2-methyl-5-oxo-N,3-diphenyl-1,2-oxazole-4-carboxamide
CID 110681206
2,3,4,5,6-pentamethyl-N-phenylbenzamide
CID 60629319
2,4,6-trichloro-N-phenylbenzamide
CID 68933625
N-(4-carbamoylphenyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 8884598
5-acetyl-2,4-dihydroxy-6-oxo-N-phenylpyran-3-carboxamide
CID 136610051
methylsulfinylmethane;2-N,5-N,3,4-tetraphenyl-1H-pyrrole-2,5-dicarboxamide
CID 139044972
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
N-[3-[(3-cyano-4,5-diphenylfuran-2-yl)iminomethyl]phenyl]-4-methylbenzamide
CID 23941523

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N,2,5,6-tetraphenylpyran-3-carboxamide?
The IUPAC name of 4-oxo-N,2,5,6-tetraphenylpyran-3-carboxamide (CID 164685853) is 4-oxo-N,2,5,6-tetraphenylpyran-3-carboxamide.
What is the SMILES notation for 4-oxo-N,2,5,6-tetraphenylpyran-3-carboxamide?
The canonical SMILES for 4-oxo-N,2,5,6-tetraphenylpyran-3-carboxamide is O=C(Nc1ccccc1)c1c(-c2ccccc2)oc(-c2ccccc2)c(-c2ccccc2)c1=O.
What is the InChIKey of 4-oxo-N,2,5,6-tetraphenylpyran-3-carboxamide?
The InChIKey is UURDMUXNPUAFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21NO3/c32-27-25(21-13-5-1-6-14-21)28(22-15-7-2-8-16-22)34-29(23-17-9-3-10-18-23)26(27)30(33)31-24-19-11-4-12-20-24/h1-20H,(H,31,33).
What are the key properties of 4-oxo-N,2,5,6-tetraphenylpyran-3-carboxamide?
4-oxo-N,2,5,6-tetraphenylpyran-3-carboxamide has a molecular weight of 443.50 g/mol, XLogP of 6.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N,2,5,6-tetraphenylpyran-3-carboxamide is sourced from PubChem (CID 164685853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).