N-[3-[6-(dimethylamino)-3-pyridinyl]phenyl]-8-hydroxy-2-oxochromene-3-carboxamide

C23H19N3O4 — CID 86650433

IUPACN-[3-[6-(dimethylamino)-3-pyridinyl]phenyl]-8-hydroxy-2-oxochromene-3-carboxamide
SMILESCN(C)c1ccc(-c2cccc(NC(=O)c3cc4cccc(O)c4oc3=O)c2)cn1
InChIInChI=1S/C23H19N3O4/c1-26(2)20-10-9-16(13-24-20)14-5-3-7-17(11-14)25-22(28)18-12-15-6-4-8-19(27)21(15)30-23(18)29/h3-13,27H,1-2H3,(H,25,28)
InChIKeyCRUDUZRPYOPNIS-UHFFFAOYSA-N
MW401.42 g/mol
LogP3.88
Rot. Bonds4

About N-[3-[6-(dimethylamino)-3-pyridinyl]phenyl]-8-hydroxy-2-oxochromene-3-carboxamide

N-[3-[6-(dimethylamino)-3-pyridinyl]phenyl]-8-hydroxy-2-oxochromene-3-carboxamide (PubChem CID 86650433) has the molecular formula C23H19N3O4 and a molecular weight of 401.42 g/mol. Its IUPAC name is N-[3-[6-(dimethylamino)-3-pyridinyl]phenyl]-8-hydroxy-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[3-[6-(dimethylamino)-3-pyridinyl]phenyl]-8-hydroxy-2-oxochromene-3-carboxamide
PubChem CID86650433
Molecular FormulaC23H19N3O4
Molecular Weight401.42 g/mol
Exact Mass401.14
IUPAC NameN-[3-[6-(dimethylamino)-3-pyridinyl]phenyl]-8-hydroxy-2-oxochromene-3-carboxamide
SMILESCN(C)c1ccc(-c2cccc(NC(=O)c3cc4cccc(O)c4oc3=O)c2)cn1
InChIInChI=1S/C23H19N3O4/c1-26(2)20-10-9-16(13-24-20)14-5-3-7-17(11-14)25-22(28)18-12-15-6-4-8-19(27)21(15)30-23(18)29/h3-13,27H,1-2H3,(H,25,28)
InChIKeyCRUDUZRPYOPNIS-UHFFFAOYSA-N
XLogP3.88
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 53.88
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

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-hydroxy-2-oxo-N-[3-(4-phenoxyphenyl)phenyl]chromene-3-carboxamide
CID 86650382
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
N-[3-(2-ethoxy-3-pyridinyl)phenyl]-8-hydroxy-2-oxochromene-3-carboxamide
CID 86650369
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
8-chloro-N-(3-methylsulfanylphenyl)-2-oxochromene-3-carboxamide
CID 100794846
N-[3-(5-methyl-1H-imidazol-4-yl)phenyl]-2-oxochromene-3-carboxamide
CID 110745871
methyl 8-hydroxy-2-oxochromene-3-carboxylate
CID 121222040
8-methoxy-2-oxo-N-[3-[2-(trifluoromethoxy)phenyl]phenyl]chromene-3-carboxamide
CID 86650395

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(dimethylamino)-3-pyridinyl]phenyl]-8-hydroxy-2-oxochromene-3-carboxamide?
The IUPAC name of N-[3-[6-(dimethylamino)-3-pyridinyl]phenyl]-8-hydroxy-2-oxochromene-3-carboxamide (CID 86650433) is N-[3-[6-(dimethylamino)-3-pyridinyl]phenyl]-8-hydroxy-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[3-[6-(dimethylamino)-3-pyridinyl]phenyl]-8-hydroxy-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[3-[6-(dimethylamino)-3-pyridinyl]phenyl]-8-hydroxy-2-oxochromene-3-carboxamide is CN(C)c1ccc(-c2cccc(NC(=O)c3cc4cccc(O)c4oc3=O)c2)cn1.
What is the InChIKey of N-[3-[6-(dimethylamino)-3-pyridinyl]phenyl]-8-hydroxy-2-oxochromene-3-carboxamide?
The InChIKey is CRUDUZRPYOPNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4/c1-26(2)20-10-9-16(13-24-20)14-5-3-7-17(11-14)25-22(28)18-12-15-6-4-8-19(27)21(15)30-23(18)29/h3-13,27H,1-2H3,(H,25,28).
What are the key properties of N-[3-[6-(dimethylamino)-3-pyridinyl]phenyl]-8-hydroxy-2-oxochromene-3-carboxamide?
N-[3-[6-(dimethylamino)-3-pyridinyl]phenyl]-8-hydroxy-2-oxochromene-3-carboxamide has a molecular weight of 401.42 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(dimethylamino)-3-pyridinyl]phenyl]-8-hydroxy-2-oxochromene-3-carboxamide is sourced from PubChem (CID 86650433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).