5-methoxy-4-oxo-N-(4-oxochromen-6-yl)pyran-2-carboxamide

C16H11NO6 — CID 75491707

IUPAC5-methoxy-4-oxo-N-(4-oxochromen-6-yl)pyran-2-carboxamide
SMILESCOc1coc(C(=O)Nc2ccc3occc(=O)c3c2)cc1=O
InChIInChI=1S/C16H11NO6/c1-21-15-8-23-14(7-12(15)19)16(20)17-9-2-3-13-10(6-9)11(18)4-5-22-13/h2-8H,1H3,(H,17,20)
InChIKeyYPZJYSVXXLIHDM-UHFFFAOYSA-N
MW313.27 g/mol
LogP2.01
Rot. Bonds3

About 5-methoxy-4-oxo-N-(4-oxochromen-6-yl)pyran-2-carboxamide

5-methoxy-4-oxo-N-(4-oxochromen-6-yl)pyran-2-carboxamide (PubChem CID 75491707) has the molecular formula C16H11NO6 and a molecular weight of 313.27 g/mol. Its IUPAC name is 5-methoxy-4-oxo-N-(4-oxochromen-6-yl)pyran-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-4-oxo-N-(4-oxochromen-6-yl)pyran-2-carboxamide
PubChem CID75491707
Molecular FormulaC16H11NO6
Molecular Weight313.27 g/mol
Exact Mass313.06
IUPAC Name5-methoxy-4-oxo-N-(4-oxochromen-6-yl)pyran-2-carboxamide
SMILESCOc1coc(C(=O)Nc2ccc3occc(=O)c3c2)cc1=O
InChIInChI=1S/C16H11NO6/c1-21-15-8-23-14(7-12(15)19)16(20)17-9-2-3-13-10(6-9)11(18)4-5-22-13/h2-8H,1H3,(H,17,20)
InChIKeyYPZJYSVXXLIHDM-UHFFFAOYSA-N
XLogP2.01
TPSA98.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methoxy-4-oxo-N-(4-oxochromen-6-yl)-1H-pyridine-2-carboxamide
CID 127252932
4-methoxy-N-(4-oxochromen-6-yl)benzamide
CID 22371111
1-(4-chlorophenyl)-3-(4-oxochromen-6-yl)urea
CID 23139454
4-oxo-5-phenylmethoxy-N-(3,4,5-trimethoxyphenyl)pyran-2-carboxamide
CID 42227009
N-(3,4-dimethoxyphenyl)-5-[(3-methoxyphenyl)methoxy]-4-oxopyran-2-carboxamide
CID 42317193
N-(2-carbamoylphenyl)-5-methoxy-4-oxopyran-2-carboxamide
CID 27378289
6-methoxy-7-propan-2-yloxychromen-4-one
CID 134910504
5-[(4-chloro-3-methoxyphenyl)carbamoyl]furan-3-carboxylic acid
CID 107622770
N-(4-methoxy-3-propan-2-ylphenyl)furan-2-carboxamide
CID 110776754
5-methoxy-4-oxo-N-[3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]pyran-2-carboxamide
CID 125432942
7-bromo-N-(3-chloro-4-methoxyphenyl)-4-oxochromene-2-carboxamide
CID 35180956
N-(4-fluorophenyl)-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide
CID 42227224

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-oxo-N-(4-oxochromen-6-yl)pyran-2-carboxamide?
The IUPAC name of 5-methoxy-4-oxo-N-(4-oxochromen-6-yl)pyran-2-carboxamide (CID 75491707) is 5-methoxy-4-oxo-N-(4-oxochromen-6-yl)pyran-2-carboxamide.
What is the SMILES notation for 5-methoxy-4-oxo-N-(4-oxochromen-6-yl)pyran-2-carboxamide?
The canonical SMILES for 5-methoxy-4-oxo-N-(4-oxochromen-6-yl)pyran-2-carboxamide is COc1coc(C(=O)Nc2ccc3occc(=O)c3c2)cc1=O.
What is the InChIKey of 5-methoxy-4-oxo-N-(4-oxochromen-6-yl)pyran-2-carboxamide?
The InChIKey is YPZJYSVXXLIHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO6/c1-21-15-8-23-14(7-12(15)19)16(20)17-9-2-3-13-10(6-9)11(18)4-5-22-13/h2-8H,1H3,(H,17,20).
What are the key properties of 5-methoxy-4-oxo-N-(4-oxochromen-6-yl)pyran-2-carboxamide?
5-methoxy-4-oxo-N-(4-oxochromen-6-yl)pyran-2-carboxamide has a molecular weight of 313.27 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-oxo-N-(4-oxochromen-6-yl)pyran-2-carboxamide is sourced from PubChem (CID 75491707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).