N-[3-(2-ethoxy-3-pyridinyl)phenyl]-8-hydroxy-2-oxochromene-3-carboxamide

C23H18N2O5 — CID 86650369

IUPACN-[3-(2-ethoxy-3-pyridinyl)phenyl]-8-hydroxy-2-oxochromene-3-carboxamide
SMILESCCOc1ncccc1-c1cccc(NC(=O)c2cc3cccc(O)c3oc2=O)c1
InChIInChI=1S/C23H18N2O5/c1-2-29-22-17(9-5-11-24-22)14-6-3-8-16(12-14)25-21(27)18-13-15-7-4-10-19(26)20(15)30-23(18)28/h3-13,26H,2H2,1H3,(H,25,27)
InChIKeyMZSSFJDHQWDTMA-UHFFFAOYSA-N
MW402.41 g/mol
LogP4.21
Rot. Bonds5

About N-[3-(2-ethoxy-3-pyridinyl)phenyl]-8-hydroxy-2-oxochromene-3-carboxamide

N-[3-(2-ethoxy-3-pyridinyl)phenyl]-8-hydroxy-2-oxochromene-3-carboxamide (PubChem CID 86650369) has the molecular formula C23H18N2O5 and a molecular weight of 402.41 g/mol. Its IUPAC name is N-[3-(2-ethoxy-3-pyridinyl)phenyl]-8-hydroxy-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-ethoxy-3-pyridinyl)phenyl]-8-hydroxy-2-oxochromene-3-carboxamide
PubChem CID86650369
Molecular FormulaC23H18N2O5
Molecular Weight402.41 g/mol
Exact Mass402.12
IUPAC NameN-[3-(2-ethoxy-3-pyridinyl)phenyl]-8-hydroxy-2-oxochromene-3-carboxamide
SMILESCCOc1ncccc1-c1cccc(NC(=O)c2cc3cccc(O)c3oc2=O)c1
InChIInChI=1S/C23H18N2O5/c1-2-29-22-17(9-5-11-24-22)14-6-3-8-16(12-14)25-21(27)18-13-15-7-4-10-19(26)20(15)30-23(18)28/h3-13,26H,2H2,1H3,(H,25,27)
InChIKeyMZSSFJDHQWDTMA-UHFFFAOYSA-N
XLogP4.21
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-ethoxy-3-methylphenyl)phenyl]-8-hydroxy-2-oxochromene-3-carboxamide
CID 86650388
N-[3-(2-acetamidophenyl)phenyl]-8-hydroxy-2-oxochromene-3-carboxamide
CID 86650418
8-hydroxy-2-oxo-N-(3-pyridin-3-ylphenyl)chromene-3-carboxamide
CID 86650366
8-hydroxy-2-oxo-N-[3-(1H-pyrazol-4-yl)phenyl]chromene-3-carboxamide
CID 86650444
8-ethoxy-2-oxo-N-phenylchromene-3-carboxamide
CID 4523886
8-hydroxy-2-oxo-N-[3-(4-phenoxyphenyl)phenyl]chromene-3-carboxamide
CID 86650382
N-[3-[6-(dimethylamino)-3-pyridinyl]phenyl]-8-hydroxy-2-oxochromene-3-carboxamide
CID 86650433
8-methoxy-2-oxo-N-[3-[2-(trifluoromethoxy)phenyl]phenyl]chromene-3-carboxamide
CID 86650395
8-ethoxy-2-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]chromene-3-carboxamide
CID 121024370
N-(3-acetylphenyl)-2-ethoxypyridine-3-carboxamide
CID 7959021
2-ethoxy-N-[3-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 17392452
8-ethoxy-N-(2-ethylphenyl)-2-oxochromene-3-carboxamide
CID 16645381

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethoxy-3-pyridinyl)phenyl]-8-hydroxy-2-oxochromene-3-carboxamide?
The IUPAC name of N-[3-(2-ethoxy-3-pyridinyl)phenyl]-8-hydroxy-2-oxochromene-3-carboxamide (CID 86650369) is N-[3-(2-ethoxy-3-pyridinyl)phenyl]-8-hydroxy-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[3-(2-ethoxy-3-pyridinyl)phenyl]-8-hydroxy-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[3-(2-ethoxy-3-pyridinyl)phenyl]-8-hydroxy-2-oxochromene-3-carboxamide is CCOc1ncccc1-c1cccc(NC(=O)c2cc3cccc(O)c3oc2=O)c1.
What is the InChIKey of N-[3-(2-ethoxy-3-pyridinyl)phenyl]-8-hydroxy-2-oxochromene-3-carboxamide?
The InChIKey is MZSSFJDHQWDTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O5/c1-2-29-22-17(9-5-11-24-22)14-6-3-8-16(12-14)25-21(27)18-13-15-7-4-10-19(26)20(15)30-23(18)28/h3-13,26H,2H2,1H3,(H,25,27).
What are the key properties of N-[3-(2-ethoxy-3-pyridinyl)phenyl]-8-hydroxy-2-oxochromene-3-carboxamide?
N-[3-(2-ethoxy-3-pyridinyl)phenyl]-8-hydroxy-2-oxochromene-3-carboxamide has a molecular weight of 402.41 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethoxy-3-pyridinyl)phenyl]-8-hydroxy-2-oxochromene-3-carboxamide is sourced from PubChem (CID 86650369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).