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

C22H22N2O6 — CID 46346295

IUPAC[3-[(3-methoxyphenyl)methylcarbamoyl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl propanoate
SMILESCCC(=O)OCc1cnc(C)c2oc(=O)c(C(=O)NCc3cccc(OC)c3)cc12
InChIInChI=1S/C22H22N2O6/c1-4-19(25)29-12-15-11-23-13(2)20-17(15)9-18(22(27)30-20)21(26)24-10-14-6-5-7-16(8-14)28-3/h5-9,11H,4,10,12H2,1-3H3,(H,24,26)
InChIKeyUPLCYSVQLFFFCV-UHFFFAOYSA-N
MW410.43 g/mol
LogP2.89
Rot. Bonds7

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

[3-[(3-methoxyphenyl)methylcarbamoyl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl propanoate (PubChem CID 46346295) has the molecular formula C22H22N2O6 and a molecular weight of 410.43 g/mol. Its IUPAC name is [3-[(3-methoxyphenyl)methylcarbamoyl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl propanoate.

Molecular Properties

Compound Name[3-[(3-methoxyphenyl)methylcarbamoyl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl propanoate
PubChem CID46346295
Molecular FormulaC22H22N2O6
Molecular Weight410.43 g/mol
Exact Mass410.15
IUPAC Name[3-[(3-methoxyphenyl)methylcarbamoyl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl propanoate
SMILESCCC(=O)OCc1cnc(C)c2oc(=O)c(C(=O)NCc3cccc(OC)c3)cc12
InChIInChI=1S/C22H22N2O6/c1-4-19(25)29-12-15-11-23-13(2)20-17(15)9-18(22(27)30-20)21(26)24-10-14-6-5-7-16(8-14)28-3/h5-9,11H,4,10,12H2,1-3H3,(H,24,26)
InChIKeyUPLCYSVQLFFFCV-UHFFFAOYSA-N
XLogP2.89
TPSA107.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

[3-[(2-methoxyphenyl)carbamoyl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl propanoate
CID 46346293
N-(2,5-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide
CID 50742985
4-amino-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 81242597
N-[(4-methoxyphenyl)methyl]-8-methyl-2-oxochromene-3-carboxamide
CID 100794114
N-[(3-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methylamino]-4-methylpyrimidine-5-carboxamide
CID 20959741
2-[(3-methoxyphenyl)methylamino]-4-methyl-N-[(5-methylfuran-2-yl)methyl]pyrimidine-5-carboxamide
CID 20959670
N-[(3-hydroxyphenyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 47292082
N-[(3-methoxyphenyl)methyl]-4-methyl-2-[(3R)-pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 124960830
N-[(3-methoxyphenyl)methyl]-4-methyl-2-[(3S)-pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 124960829
2-amino-N-[[3-[(3-methoxyphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide
CID 58104552
5-bromo-2-hydrazinyl-N-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 62237338
5-bromo-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 62954224

Frequently Asked Questions

What is the IUPAC name of [3-[(3-methoxyphenyl)methylcarbamoyl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl propanoate?
The IUPAC name of [3-[(3-methoxyphenyl)methylcarbamoyl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl propanoate (CID 46346295) is [3-[(3-methoxyphenyl)methylcarbamoyl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl propanoate.
What is the SMILES notation for [3-[(3-methoxyphenyl)methylcarbamoyl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl propanoate?
The canonical SMILES for [3-[(3-methoxyphenyl)methylcarbamoyl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl propanoate is CCC(=O)OCc1cnc(C)c2oc(=O)c(C(=O)NCc3cccc(OC)c3)cc12.
What is the InChIKey of [3-[(3-methoxyphenyl)methylcarbamoyl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl propanoate?
The InChIKey is UPLCYSVQLFFFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O6/c1-4-19(25)29-12-15-11-23-13(2)20-17(15)9-18(22(27)30-20)21(26)24-10-14-6-5-7-16(8-14)28-3/h5-9,11H,4,10,12H2,1-3H3,(H,24,26).
What are the key properties of [3-[(3-methoxyphenyl)methylcarbamoyl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl propanoate?
[3-[(3-methoxyphenyl)methylcarbamoyl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl propanoate has a molecular weight of 410.43 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-methoxyphenyl)methylcarbamoyl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl propanoate is sourced from PubChem (CID 46346295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).