8-methoxy-2-oxo-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]chromene-3-carboxamide

C19H14N4O6 — CID 91818692

IUPAC8-methoxy-2-oxo-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]chromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)NCc3nc(-c4cc[nH]c(=O)c4)no3)c(=O)oc12
InChIInChI=1S/C19H14N4O6/c1-27-13-4-2-3-10-7-12(19(26)28-16(10)13)18(25)21-9-15-22-17(23-29-15)11-5-6-20-14(24)8-11/h2-8H,9H2,1H3,(H,20,24)(H,21,25)
InChIKeySWEPZIAQANCKHG-UHFFFAOYSA-N
MW394.34 g/mol
LogP1.47
Rot. Bonds5

About 8-methoxy-2-oxo-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]chromene-3-carboxamide

8-methoxy-2-oxo-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]chromene-3-carboxamide (PubChem CID 91818692) has the molecular formula C19H14N4O6 and a molecular weight of 394.34 g/mol. Its IUPAC name is 8-methoxy-2-oxo-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]chromene-3-carboxamide.

Molecular Properties

Compound Name8-methoxy-2-oxo-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]chromene-3-carboxamide
PubChem CID91818692
Molecular FormulaC19H14N4O6
Molecular Weight394.34 g/mol
Exact Mass394.09
IUPAC Name8-methoxy-2-oxo-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]chromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)NCc3nc(-c4cc[nH]c(=O)c4)no3)c(=O)oc12
InChIInChI=1S/C19H14N4O6/c1-27-13-4-2-3-10-7-12(19(26)28-16(10)13)18(25)21-9-15-22-17(23-29-15)11-5-6-20-14(24)8-11/h2-8H,9H2,1H3,(H,20,24)(H,21,25)
InChIKeySWEPZIAQANCKHG-UHFFFAOYSA-N
XLogP1.47
TPSA140.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.34
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

7-methoxy-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-benzofuran-2-carboxamide
CID 136666450
5-chloro-2-fluoro-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 91818700
N-(2,6-diethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 7470756
2-(2-fluorophenoxy)-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 91818678
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 39966511
N-[2-(4-fluorophenyl)ethyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 26795926
[2-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]phenyl] acetate
CID 8894978
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 122353954
N-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxybenzamide
CID 42797734
4-chloro-1-ethyl-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazole-3-carboxamide
CID 91818673
N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 71781600
(2S)-2-[(8-methoxy-2-oxochromene-3-carbonyl)amino]propanoic acid
CID 10493768

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-oxo-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]chromene-3-carboxamide?
The IUPAC name of 8-methoxy-2-oxo-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]chromene-3-carboxamide (CID 91818692) is 8-methoxy-2-oxo-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]chromene-3-carboxamide.
What is the SMILES notation for 8-methoxy-2-oxo-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]chromene-3-carboxamide?
The canonical SMILES for 8-methoxy-2-oxo-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]chromene-3-carboxamide is COc1cccc2cc(C(=O)NCc3nc(-c4cc[nH]c(=O)c4)no3)c(=O)oc12.
What is the InChIKey of 8-methoxy-2-oxo-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]chromene-3-carboxamide?
The InChIKey is SWEPZIAQANCKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O6/c1-27-13-4-2-3-10-7-12(19(26)28-16(10)13)18(25)21-9-15-22-17(23-29-15)11-5-6-20-14(24)8-11/h2-8H,9H2,1H3,(H,20,24)(H,21,25).
What are the key properties of 8-methoxy-2-oxo-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]chromene-3-carboxamide?
8-methoxy-2-oxo-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]chromene-3-carboxamide has a molecular weight of 394.34 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-oxo-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]chromene-3-carboxamide is sourced from PubChem (CID 91818692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).