methyl 3-[2-methyl-6-(2-methyl-6-oxo-5,8-dihydropyrano[3,4-b]pyridin-4-yl)-4-pyridinyl]benzoate

C23H20N2O4 — CID 141074281

IUPACmethyl 3-[2-methyl-6-(2-methyl-6-oxo-5,8-dihydropyrano[3,4-b]pyridin-4-yl)-4-pyridinyl]benzoate
SMILESCOC(=O)c1cccc(-c2cc(C)nc(-c3cc(C)nc4c3CC(=O)OC4)c2)c1
InChIInChI=1S/C23H20N2O4/c1-13-7-17(15-5-4-6-16(9-15)23(27)28-3)10-20(24-13)18-8-14(2)25-21-12-29-22(26)11-19(18)21/h4-10H,11-12H2,1-3H3
InChIKeyYXKGHQCDEXZGMZ-UHFFFAOYSA-N
MW388.42 g/mol
LogP3.81
Rot. Bonds3

About methyl 3-[2-methyl-6-(2-methyl-6-oxo-5,8-dihydropyrano[3,4-b]pyridin-4-yl)-4-pyridinyl]benzoate

methyl 3-[2-methyl-6-(2-methyl-6-oxo-5,8-dihydropyrano[3,4-b]pyridin-4-yl)-4-pyridinyl]benzoate (PubChem CID 141074281) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is methyl 3-[2-methyl-6-(2-methyl-6-oxo-5,8-dihydropyrano[3,4-b]pyridin-4-yl)-4-pyridinyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[2-methyl-6-(2-methyl-6-oxo-5,8-dihydropyrano[3,4-b]pyridin-4-yl)-4-pyridinyl]benzoate
PubChem CID141074281
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Namemethyl 3-[2-methyl-6-(2-methyl-6-oxo-5,8-dihydropyrano[3,4-b]pyridin-4-yl)-4-pyridinyl]benzoate
SMILESCOC(=O)c1cccc(-c2cc(C)nc(-c3cc(C)nc4c3CC(=O)OC4)c2)c1
InChIInChI=1S/C23H20N2O4/c1-13-7-17(15-5-4-6-16(9-15)23(27)28-3)10-20(24-13)18-8-14(2)25-21-12-29-22(26)11-19(18)21/h4-10H,11-12H2,1-3H3
InChIKeyYXKGHQCDEXZGMZ-UHFFFAOYSA-N
XLogP3.81
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-[2-methyl-6-(2-methyl-6-oxo-5,8-dihydropyrano[3,4-b]pyridin-4-yl)-4-pyridinyl]benzoate with MolForge

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Related Compounds

methyl 3-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)benzoate
CID 176705539
methyl 3-[2-methyl-6-(oxan-2-yloxymethyl)-4-pyridinyl]benzoate
CID 69489989
methyl 3-(1,3-benzodioxol-5-yl)benzoate
CID 50888522
methyl 3-pyridin-4-ylbenzoate
CID 5152687
3-(2,6-dimethyl-4-pyridinyl)benzoic acid
CID 22317581
methyl 2-(3-acetamidophenyl)-6-methylpyridine-4-carboxylate
CID 39732995
methyl 3-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]benzoate
CID 164553795
methyl 3-(6-aminopyridazin-3-yl)benzoate
CID 86682701
methyl 3-quinolin-8-ylbenzoate
CID 4189037
methyl 3-pyrimidin-2-ylbenzoate
CID 69487031
methyl 3-[3-(ethylcarbamoyl)phenyl]benzoate
CID 70972222
methyl 3-[3-(1-methylpyrazol-3-yl)phenyl]benzoate
CID 56858913

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-methyl-6-(2-methyl-6-oxo-5,8-dihydropyrano[3,4-b]pyridin-4-yl)-4-pyridinyl]benzoate?
The IUPAC name of methyl 3-[2-methyl-6-(2-methyl-6-oxo-5,8-dihydropyrano[3,4-b]pyridin-4-yl)-4-pyridinyl]benzoate (CID 141074281) is methyl 3-[2-methyl-6-(2-methyl-6-oxo-5,8-dihydropyrano[3,4-b]pyridin-4-yl)-4-pyridinyl]benzoate.
What is the SMILES notation for methyl 3-[2-methyl-6-(2-methyl-6-oxo-5,8-dihydropyrano[3,4-b]pyridin-4-yl)-4-pyridinyl]benzoate?
The canonical SMILES for methyl 3-[2-methyl-6-(2-methyl-6-oxo-5,8-dihydropyrano[3,4-b]pyridin-4-yl)-4-pyridinyl]benzoate is COC(=O)c1cccc(-c2cc(C)nc(-c3cc(C)nc4c3CC(=O)OC4)c2)c1.
What is the InChIKey of methyl 3-[2-methyl-6-(2-methyl-6-oxo-5,8-dihydropyrano[3,4-b]pyridin-4-yl)-4-pyridinyl]benzoate?
The InChIKey is YXKGHQCDEXZGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-13-7-17(15-5-4-6-16(9-15)23(27)28-3)10-20(24-13)18-8-14(2)25-21-12-29-22(26)11-19(18)21/h4-10H,11-12H2,1-3H3.
What are the key properties of methyl 3-[2-methyl-6-(2-methyl-6-oxo-5,8-dihydropyrano[3,4-b]pyridin-4-yl)-4-pyridinyl]benzoate?
methyl 3-[2-methyl-6-(2-methyl-6-oxo-5,8-dihydropyrano[3,4-b]pyridin-4-yl)-4-pyridinyl]benzoate has a molecular weight of 388.42 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-methyl-6-(2-methyl-6-oxo-5,8-dihydropyrano[3,4-b]pyridin-4-yl)-4-pyridinyl]benzoate is sourced from PubChem (CID 141074281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).