6-bromo-2-oxo-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]chromene-3-carboxamide

C22H16BrN3O4 — CID 90515535

IUPAC6-bromo-2-oxo-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]chromene-3-carboxamide
SMILESO=C(NCCn1cnc(-c2ccccc2)cc1=O)c1cc2cc(Br)ccc2oc1=O
InChIInChI=1S/C22H16BrN3O4/c23-16-6-7-19-15(10-16)11-17(22(29)30-19)21(28)24-8-9-26-13-25-18(12-20(26)27)14-4-2-1-3-5-14/h1-7,10-13H,8-9H2,(H,24,28)
InChIKeyJCCHFGVTSIBLAT-UHFFFAOYSA-N
MW466.29 g/mol
LogP3.21
Rot. Bonds5

About 6-bromo-2-oxo-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]chromene-3-carboxamide

6-bromo-2-oxo-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]chromene-3-carboxamide (PubChem CID 90515535) has the molecular formula C22H16BrN3O4 and a molecular weight of 466.29 g/mol. Its IUPAC name is 6-bromo-2-oxo-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]chromene-3-carboxamide.

Molecular Properties

Compound Name6-bromo-2-oxo-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]chromene-3-carboxamide
PubChem CID90515535
Molecular FormulaC22H16BrN3O4
Molecular Weight466.29 g/mol
Exact Mass465.03
IUPAC Name6-bromo-2-oxo-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]chromene-3-carboxamide
SMILESO=C(NCCn1cnc(-c2ccccc2)cc1=O)c1cc2cc(Br)ccc2oc1=O
InChIInChI=1S/C22H16BrN3O4/c23-16-6-7-19-15(10-16)11-17(22(29)30-19)21(28)24-8-9-26-13-25-18(12-20(26)27)14-4-2-1-3-5-14/h1-7,10-13H,8-9H2,(H,24,28)
InChIKeyJCCHFGVTSIBLAT-UHFFFAOYSA-N
XLogP3.21
TPSA94.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.29
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2-oxochromene-3-carboxamide
CID 90516061
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-oxochromene-3-carboxamide
CID 121119929
6-bromo-2-oxo-N-(3-phenylpropyl)chromene-3-carboxamide
CID 3816186
1-methyl-6-oxo-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]pyridazine-3-carboxamide
CID 90515674
N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 90515701
5-methyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 90515715
2,6-dimethoxy-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzamide
CID 90515515
N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1H-indole-2-carboxamide
CID 90515664
6-bromo-2-oxo-N-phenylchromene-3-carboxamide
CID 747661
N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-1-benzofuran-2-carboxamide
CID 90515898
2-oxo-N-[(6-phenylpyrimidin-4-yl)methyl]chromene-3-carboxamide
CID 122261785
N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-4-pyrrol-1-ylbenzamide
CID 56724534

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-oxo-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]chromene-3-carboxamide?
The IUPAC name of 6-bromo-2-oxo-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]chromene-3-carboxamide (CID 90515535) is 6-bromo-2-oxo-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]chromene-3-carboxamide.
What is the SMILES notation for 6-bromo-2-oxo-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]chromene-3-carboxamide?
The canonical SMILES for 6-bromo-2-oxo-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]chromene-3-carboxamide is O=C(NCCn1cnc(-c2ccccc2)cc1=O)c1cc2cc(Br)ccc2oc1=O.
What is the InChIKey of 6-bromo-2-oxo-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]chromene-3-carboxamide?
The InChIKey is JCCHFGVTSIBLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrN3O4/c23-16-6-7-19-15(10-16)11-17(22(29)30-19)21(28)24-8-9-26-13-25-18(12-20(26)27)14-4-2-1-3-5-14/h1-7,10-13H,8-9H2,(H,24,28).
What are the key properties of 6-bromo-2-oxo-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]chromene-3-carboxamide?
6-bromo-2-oxo-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]chromene-3-carboxamide has a molecular weight of 466.29 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-oxo-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]chromene-3-carboxamide is sourced from PubChem (CID 90515535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).