N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-8-methoxy-2-oxochromene-3-carboxamide

C21H14FN3O5 — CID 122302958

IUPACN-[2-(2-fluorophenoxy)pyrimidin-5-yl]-8-methoxy-2-oxochromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3cnc(Oc4ccccc4F)nc3)c(=O)oc12
InChIInChI=1S/C21H14FN3O5/c1-28-17-8-4-5-12-9-14(20(27)30-18(12)17)19(26)25-13-10-23-21(24-11-13)29-16-7-3-2-6-15(16)22/h2-11H,1H3,(H,25,26)
InChIKeyAGUVBENREDWYCL-UHFFFAOYSA-N
MW407.36 g/mol
LogP3.78
Rot. Bonds5

About N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-8-methoxy-2-oxochromene-3-carboxamide

N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-8-methoxy-2-oxochromene-3-carboxamide (PubChem CID 122302958) has the molecular formula C21H14FN3O5 and a molecular weight of 407.36 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-8-methoxy-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)pyrimidin-5-yl]-8-methoxy-2-oxochromene-3-carboxamide
PubChem CID122302958
Molecular FormulaC21H14FN3O5
Molecular Weight407.36 g/mol
Exact Mass407.09
IUPAC NameN-[2-(2-fluorophenoxy)pyrimidin-5-yl]-8-methoxy-2-oxochromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3cnc(Oc4ccccc4F)nc3)c(=O)oc12
InChIInChI=1S/C21H14FN3O5/c1-28-17-8-4-5-12-9-14(20(27)30-18(12)17)19(26)25-13-10-23-21(24-11-13)29-16-7-3-2-6-15(16)22/h2-11H,1H3,(H,25,26)
InChIKeyAGUVBENREDWYCL-UHFFFAOYSA-N
XLogP3.78
TPSA103.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.36
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluorophenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 749756
N-(2-imidazol-1-ylpyrimidin-5-yl)-8-methoxy-2-oxochromene-3-carboxamide
CID 122300789
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3,4-dimethoxybenzamide
CID 91968353
8-methoxy-2-oxo-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]chromene-3-carboxamide
CID 122299980
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-methoxypyridine-3-carboxamide
CID 122303080
8-methoxy-2-oxo-N-[2-(trifluoromethyl)phenyl]chromene-3-carboxamide
CID 1307889
8-ethoxy-N-(2-fluorophenyl)-2-oxochromene-3-carboxamide
CID 6460214
N-(2,6-diethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 7470756
N-(2,5-dimethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 16896367
N-(2-ethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 708002
8-methoxy-2-oxo-N-[4-(1,3-thiazol-2-yl)phenyl]chromene-3-carboxamide
CID 27701547
8-ethoxy-2-oxo-N-phenylchromene-3-carboxamide
CID 4523886

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-8-methoxy-2-oxochromene-3-carboxamide?
The IUPAC name of N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-8-methoxy-2-oxochromene-3-carboxamide (CID 122302958) is N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-8-methoxy-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-8-methoxy-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-8-methoxy-2-oxochromene-3-carboxamide is COc1cccc2cc(C(=O)Nc3cnc(Oc4ccccc4F)nc3)c(=O)oc12.
What is the InChIKey of N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-8-methoxy-2-oxochromene-3-carboxamide?
The InChIKey is AGUVBENREDWYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN3O5/c1-28-17-8-4-5-12-9-14(20(27)30-18(12)17)19(26)25-13-10-23-21(24-11-13)29-16-7-3-2-6-15(16)22/h2-11H,1H3,(H,25,26).
What are the key properties of N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-8-methoxy-2-oxochromene-3-carboxamide?
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-8-methoxy-2-oxochromene-3-carboxamide has a molecular weight of 407.36 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-8-methoxy-2-oxochromene-3-carboxamide is sourced from PubChem (CID 122302958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).