[8-methyl-2-oxo-3-(phenylcarbamoyl)pyrano[2,3-c]pyridin-5-yl]methyl acetate

C19H16N2O5 — CID 46346279

IUPAC[8-methyl-2-oxo-3-(phenylcarbamoyl)pyrano[2,3-c]pyridin-5-yl]methyl acetate
SMILESCC(=O)OCc1cnc(C)c2oc(=O)c(C(=O)Nc3ccccc3)cc12
InChIInChI=1S/C19H16N2O5/c1-11-17-15(13(9-20-11)10-25-12(2)22)8-16(19(24)26-17)18(23)21-14-6-4-3-5-7-14/h3-9H,10H2,1-2H3,(H,21,23)
InChIKeyJDANTZNSIQTPLR-UHFFFAOYSA-N
MW352.35 g/mol
LogP2.81
Rot. Bonds4

About [8-methyl-2-oxo-3-(phenylcarbamoyl)pyrano[2,3-c]pyridin-5-yl]methyl acetate

[8-methyl-2-oxo-3-(phenylcarbamoyl)pyrano[2,3-c]pyridin-5-yl]methyl acetate (PubChem CID 46346279) has the molecular formula C19H16N2O5 and a molecular weight of 352.35 g/mol. Its IUPAC name is [8-methyl-2-oxo-3-(phenylcarbamoyl)pyrano[2,3-c]pyridin-5-yl]methyl acetate.

Molecular Properties

Compound Name[8-methyl-2-oxo-3-(phenylcarbamoyl)pyrano[2,3-c]pyridin-5-yl]methyl acetate
PubChem CID46346279
Molecular FormulaC19H16N2O5
Molecular Weight352.35 g/mol
Exact Mass352.11
IUPAC Name[8-methyl-2-oxo-3-(phenylcarbamoyl)pyrano[2,3-c]pyridin-5-yl]methyl acetate
SMILESCC(=O)OCc1cnc(C)c2oc(=O)c(C(=O)Nc3ccccc3)cc12
InChIInChI=1S/C19H16N2O5/c1-11-17-15(13(9-20-11)10-25-12(2)22)8-16(19(24)26-17)18(23)21-14-6-4-3-5-7-14/h3-9H,10H2,1-2H3,(H,21,23)
InChIKeyJDANTZNSIQTPLR-UHFFFAOYSA-N
XLogP2.81
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[(2-methoxyphenyl)carbamoyl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl propanoate
CID 46346293
[2-(3-chlorophenyl)imino-8-methyl-3-[(3-methylphenyl)carbamoyl]pyrano[2,3-c]pyridin-5-yl]methyl acetate
CID 4608915
N-(3,4-dimethylphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide
CID 4088801
[2-(4-chlorophenyl)imino-3-[(3-fluorophenyl)carbamoyl]-8-methylpyrano[2,3-c]pyridin-5-yl]methyl acetate
CID 4691861
N-(4-bromo-3-methylphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide
CID 46507644
[2-(2,5-dimethoxyphenyl)imino-8-methyl-3-[(4-methylphenyl)carbamoyl]pyrano[2,3-c]pyridin-5-yl]methyl acetate
CID 3261803
[3-[(3-methoxyphenyl)methylcarbamoyl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl propanoate
CID 46346295
[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-(5-fluoro-2-methylphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide
CID 22425488
N-(2,5-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide
CID 50742985
8-ethoxy-2-oxo-N-phenylchromene-3-carboxamide
CID 4523886

Frequently Asked Questions

What is the IUPAC name of [8-methyl-2-oxo-3-(phenylcarbamoyl)pyrano[2,3-c]pyridin-5-yl]methyl acetate?
The IUPAC name of [8-methyl-2-oxo-3-(phenylcarbamoyl)pyrano[2,3-c]pyridin-5-yl]methyl acetate (CID 46346279) is [8-methyl-2-oxo-3-(phenylcarbamoyl)pyrano[2,3-c]pyridin-5-yl]methyl acetate.
What is the SMILES notation for [8-methyl-2-oxo-3-(phenylcarbamoyl)pyrano[2,3-c]pyridin-5-yl]methyl acetate?
The canonical SMILES for [8-methyl-2-oxo-3-(phenylcarbamoyl)pyrano[2,3-c]pyridin-5-yl]methyl acetate is CC(=O)OCc1cnc(C)c2oc(=O)c(C(=O)Nc3ccccc3)cc12.
What is the InChIKey of [8-methyl-2-oxo-3-(phenylcarbamoyl)pyrano[2,3-c]pyridin-5-yl]methyl acetate?
The InChIKey is JDANTZNSIQTPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5/c1-11-17-15(13(9-20-11)10-25-12(2)22)8-16(19(24)26-17)18(23)21-14-6-4-3-5-7-14/h3-9H,10H2,1-2H3,(H,21,23).
What are the key properties of [8-methyl-2-oxo-3-(phenylcarbamoyl)pyrano[2,3-c]pyridin-5-yl]methyl acetate?
[8-methyl-2-oxo-3-(phenylcarbamoyl)pyrano[2,3-c]pyridin-5-yl]methyl acetate has a molecular weight of 352.35 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8-methyl-2-oxo-3-(phenylcarbamoyl)pyrano[2,3-c]pyridin-5-yl]methyl acetate is sourced from PubChem (CID 46346279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).