8-hydroxy-2-oxo-N-(3-pyridin-3-ylphenyl)chromene-3-carboxamide

C21H14N2O4 — CID 86650366

IUPAC8-hydroxy-2-oxo-N-(3-pyridin-3-ylphenyl)chromene-3-carboxamide
SMILESO=C(Nc1cccc(-c2cccnc2)c1)c1cc2cccc(O)c2oc1=O
InChIInChI=1S/C21H14N2O4/c24-18-8-2-5-14-11-17(21(26)27-19(14)18)20(25)23-16-7-1-4-13(10-16)15-6-3-9-22-12-15/h1-12,24H,(H,23,25)
InChIKeyVNVGTHHZDYZBSM-UHFFFAOYSA-N
MW358.35 g/mol
LogP3.81
Rot. Bonds3

About 8-hydroxy-2-oxo-N-(3-pyridin-3-ylphenyl)chromene-3-carboxamide

8-hydroxy-2-oxo-N-(3-pyridin-3-ylphenyl)chromene-3-carboxamide (PubChem CID 86650366) has the molecular formula C21H14N2O4 and a molecular weight of 358.35 g/mol. Its IUPAC name is 8-hydroxy-2-oxo-N-(3-pyridin-3-ylphenyl)chromene-3-carboxamide.

Molecular Properties

Compound Name8-hydroxy-2-oxo-N-(3-pyridin-3-ylphenyl)chromene-3-carboxamide
PubChem CID86650366
Molecular FormulaC21H14N2O4
Molecular Weight358.35 g/mol
Exact Mass358.10
IUPAC Name8-hydroxy-2-oxo-N-(3-pyridin-3-ylphenyl)chromene-3-carboxamide
SMILESO=C(Nc1cccc(-c2cccnc2)c1)c1cc2cccc(O)c2oc1=O
InChIInChI=1S/C21H14N2O4/c24-18-8-2-5-14-11-17(21(26)27-19(14)18)20(25)23-16-7-1-4-13(10-16)15-6-3-9-22-12-15/h1-12,24H,(H,23,25)
InChIKeyVNVGTHHZDYZBSM-UHFFFAOYSA-N
XLogP3.81
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

8-hydroxy-2-oxo-N-[3-(1H-pyrazol-4-yl)phenyl]chromene-3-carboxamide
CID 86650444
N-[3-[6-(dimethylamino)-3-pyridinyl]phenyl]-8-hydroxy-2-oxochromene-3-carboxamide
CID 86650433
8-hydroxy-2-oxo-N-[3-(4-phenoxyphenyl)phenyl]chromene-3-carboxamide
CID 86650382
N-[3-(2-ethoxy-3-pyridinyl)phenyl]-8-hydroxy-2-oxochromene-3-carboxamide
CID 86650369
N-[3-(2-acetamidophenyl)phenyl]-8-hydroxy-2-oxochromene-3-carboxamide
CID 86650418
N-[3-(4-ethoxy-3-methylphenyl)phenyl]-8-hydroxy-2-oxochromene-3-carboxamide
CID 86650388
N-(3-pyridin-3-ylphenyl)pyridine-3-carboxamide
CID 110461666
6-bromo-2-oxo-N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]chromene-3-carboxamide
CID 16873405
N-(3-pyridin-3-ylphenyl)-4-pyrimidin-5-ylbenzamide
CID 25058459
N-[3-(1H-indol-5-yl)phenyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 86650416
8-ethoxy-2-oxo-N-phenylchromene-3-carboxamide
CID 4523886
N-(3-hydroxyphenyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide
CID 804653

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-2-oxo-N-(3-pyridin-3-ylphenyl)chromene-3-carboxamide?
The IUPAC name of 8-hydroxy-2-oxo-N-(3-pyridin-3-ylphenyl)chromene-3-carboxamide (CID 86650366) is 8-hydroxy-2-oxo-N-(3-pyridin-3-ylphenyl)chromene-3-carboxamide.
What is the SMILES notation for 8-hydroxy-2-oxo-N-(3-pyridin-3-ylphenyl)chromene-3-carboxamide?
The canonical SMILES for 8-hydroxy-2-oxo-N-(3-pyridin-3-ylphenyl)chromene-3-carboxamide is O=C(Nc1cccc(-c2cccnc2)c1)c1cc2cccc(O)c2oc1=O.
What is the InChIKey of 8-hydroxy-2-oxo-N-(3-pyridin-3-ylphenyl)chromene-3-carboxamide?
The InChIKey is VNVGTHHZDYZBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O4/c24-18-8-2-5-14-11-17(21(26)27-19(14)18)20(25)23-16-7-1-4-13(10-16)15-6-3-9-22-12-15/h1-12,24H,(H,23,25).
What are the key properties of 8-hydroxy-2-oxo-N-(3-pyridin-3-ylphenyl)chromene-3-carboxamide?
8-hydroxy-2-oxo-N-(3-pyridin-3-ylphenyl)chromene-3-carboxamide has a molecular weight of 358.35 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-2-oxo-N-(3-pyridin-3-ylphenyl)chromene-3-carboxamide is sourced from PubChem (CID 86650366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).