4-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione

C20H21NO5 — CID 71826674

IUPAC4-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
SMILESC=C(C)COc1c(OC)cccc1C1CC(=O)Oc2cc(C)[nH]c(=O)c21
InChIInChI=1S/C20H21NO5/c1-11(2)10-25-19-13(6-5-7-15(19)24-4)14-9-17(22)26-16-8-12(3)21-20(23)18(14)16/h5-8,14H,1,9-10H2,2-4H3,(H,21,23)
InChIKeyXRKAKXNIBKMVOT-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.09
Rot. Bonds5

About 4-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione

4-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione (PubChem CID 71826674) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is 4-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name4-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
PubChem CID71826674
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Name4-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
SMILESC=C(C)COc1c(OC)cccc1C1CC(=O)Oc2cc(C)[nH]c(=O)c21
InChIInChI=1S/C20H21NO5/c1-11(2)10-25-19-13(6-5-7-15(19)24-4)14-9-17(22)26-16-8-12(3)21-20(23)18(14)16/h5-8,14H,1,9-10H2,2-4H3,(H,21,23)
InChIKeyXRKAKXNIBKMVOT-UHFFFAOYSA-N
XLogP3.09
TPSA77.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
CID 128962758
4-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 71754610
(2Z,9S)-9-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-2-[(2,4,5-trimethoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 125428555
2-[2-methoxy-4-[(4S)-7-methyl-2,5-dioxo-4,6-dihydro-3H-pyrano[3,2-c]pyridin-4-yl]phenoxy]acetic acid
CID 97046144
7-methyl-4-quinoxalin-5-yl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 71701331
8-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 50954568
(4R)-4-(2,4-difluorophenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 97266734
4-(3,4-dimethoxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 71754880
4-(4-methoxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 71755298
(2Z,9R)-9-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 99999441
(4R)-4-(3-hydroxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 99992771
(4S)-7-methyl-4-(1-methyl-2-oxoquinolin-3-yl)-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 97045869

Frequently Asked Questions

What is the IUPAC name of 4-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of 4-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione (CID 71826674) is 4-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for 4-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for 4-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione is C=C(C)COc1c(OC)cccc1C1CC(=O)Oc2cc(C)[nH]c(=O)c21.
What is the InChIKey of 4-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is XRKAKXNIBKMVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c1-11(2)10-25-19-13(6-5-7-15(19)24-4)14-9-17(22)26-16-8-12(3)21-20(23)18(14)16/h5-8,14H,1,9-10H2,2-4H3,(H,21,23).
What are the key properties of 4-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione?
4-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 355.39 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 71826674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).