[3-[(2-methoxyphenyl)carbamoyl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl propanoate

C21H20N2O6 — CID 46346293

IUPAC[3-[(2-methoxyphenyl)carbamoyl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl propanoate
SMILESCCC(=O)OCc1cnc(C)c2oc(=O)c(C(=O)Nc3ccccc3OC)cc12
InChIInChI=1S/C21H20N2O6/c1-4-18(24)28-11-13-10-22-12(2)19-14(13)9-15(21(26)29-19)20(25)23-16-7-5-6-8-17(16)27-3/h5-10H,4,11H2,1-3H3,(H,23,25)
InChIKeyZARDGQYABFDEIT-UHFFFAOYSA-N
MW396.40 g/mol
LogP3.21
Rot. Bonds6

About [3-[(2-methoxyphenyl)carbamoyl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl propanoate

[3-[(2-methoxyphenyl)carbamoyl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl propanoate (PubChem CID 46346293) has the molecular formula C21H20N2O6 and a molecular weight of 396.40 g/mol. Its IUPAC name is [3-[(2-methoxyphenyl)carbamoyl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl propanoate.

Molecular Properties

Compound Name[3-[(2-methoxyphenyl)carbamoyl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl propanoate
PubChem CID46346293
Molecular FormulaC21H20N2O6
Molecular Weight396.40 g/mol
Exact Mass396.13
IUPAC Name[3-[(2-methoxyphenyl)carbamoyl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl propanoate
SMILESCCC(=O)OCc1cnc(C)c2oc(=O)c(C(=O)Nc3ccccc3OC)cc12
InChIInChI=1S/C21H20N2O6/c1-4-18(24)28-11-13-10-22-12(2)19-14(13)9-15(21(26)29-19)20(25)23-16-7-5-6-8-17(16)27-3/h5-10H,4,11H2,1-3H3,(H,23,25)
InChIKeyZARDGQYABFDEIT-UHFFFAOYSA-N
XLogP3.21
TPSA107.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [3-[(2-methoxyphenyl)carbamoyl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl propanoate with MolForge

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Related Compounds

[8-methyl-2-oxo-3-(phenylcarbamoyl)pyrano[2,3-c]pyridin-5-yl]methyl acetate
CID 46346279
N-(2,5-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide
CID 50742985
5-(hydroxymethyl)-2-imino-N-(2-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide
CID 4280863
5-(hydroxymethyl)-N-(2-methoxyphenyl)-8-methyl-2-phenyliminopyrano[2,3-c]pyridine-3-carboxamide
CID 3444611
N-(5-chloro-2,4-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide
CID 22588292
[3-[(2-methoxy-5-methylphenyl)carbamoyl]-8-methyl-2-(4-methylphenyl)iminopyrano[2,3-c]pyridin-5-yl]methyl acetate
CID 3403043
N-(2,4-difluorophenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide
CID 22425469
N-(2-chlorophenyl)-5-(hydroxymethyl)-2-(2-methoxyphenyl)imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide
CID 4618044
N-(2-fluorophenyl)-5-(hydroxymethyl)-2-(2-methoxyphenyl)imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide
CID 5233830
N-(3,4-dimethylphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide
CID 4088801
N-(2-ethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 708002
N-(4-bromophenyl)-5-(hydroxymethyl)-2-(2-methoxyphenyl)imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide
CID 4142465

Frequently Asked Questions

What is the IUPAC name of [3-[(2-methoxyphenyl)carbamoyl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl propanoate?
The IUPAC name of [3-[(2-methoxyphenyl)carbamoyl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl propanoate (CID 46346293) is [3-[(2-methoxyphenyl)carbamoyl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl propanoate.
What is the SMILES notation for [3-[(2-methoxyphenyl)carbamoyl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl propanoate?
The canonical SMILES for [3-[(2-methoxyphenyl)carbamoyl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl propanoate is CCC(=O)OCc1cnc(C)c2oc(=O)c(C(=O)Nc3ccccc3OC)cc12.
What is the InChIKey of [3-[(2-methoxyphenyl)carbamoyl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl propanoate?
The InChIKey is ZARDGQYABFDEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O6/c1-4-18(24)28-11-13-10-22-12(2)19-14(13)9-15(21(26)29-19)20(25)23-16-7-5-6-8-17(16)27-3/h5-10H,4,11H2,1-3H3,(H,23,25).
What are the key properties of [3-[(2-methoxyphenyl)carbamoyl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl propanoate?
[3-[(2-methoxyphenyl)carbamoyl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl propanoate has a molecular weight of 396.40 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-methoxyphenyl)carbamoyl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl propanoate is sourced from PubChem (CID 46346293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).