6-[1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxopyridine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one

C22H20N4O5 — CID 172660870

IUPAC6-[1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxopyridine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1ccn(-c2ccc3c(c2)OCO3)c(=O)c1C(=O)N1Cc2nc(C)n(C)c(=O)c2C1
InChIInChI=1S/C22H20N4O5/c1-12-6-7-26(14-4-5-17-18(8-14)31-11-30-17)22(29)19(12)21(28)25-9-15-16(10-25)23-13(2)24(3)20(15)27/h4-8H,9-11H2,1-3H3
InChIKeyJEYOAFCWBXGYOB-UHFFFAOYSA-N
MW420.43 g/mol
LogP1.43
Rot. Bonds2

About 6-[1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxopyridine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one

6-[1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxopyridine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 172660870) has the molecular formula C22H20N4O5 and a molecular weight of 420.43 g/mol. Its IUPAC name is 6-[1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxopyridine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxopyridine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
PubChem CID172660870
Molecular FormulaC22H20N4O5
Molecular Weight420.43 g/mol
Exact Mass420.14
IUPAC Name6-[1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxopyridine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1ccn(-c2ccc3c(c2)OCO3)c(=O)c1C(=O)N1Cc2nc(C)n(C)c(=O)c2C1
InChIInChI=1S/C22H20N4O5/c1-12-6-7-26(14-4-5-17-18(8-14)31-11-30-17)22(29)19(12)21(28)25-9-15-16(10-25)23-13(2)24(3)20(15)27/h4-8H,9-11H2,1-3H3
InChIKeyJEYOAFCWBXGYOB-UHFFFAOYSA-N
XLogP1.43
TPSA95.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-[1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxopyridine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one with MolForge

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Related Compounds

4-[1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxopyridine-3-carbonyl]-N,N-dimethylpiperazine-1-carboxamide
CID 172665514
3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-1-(1,3-benzodioxol-5-yl)-4-methylpyridin-2-one
CID 172658823
2-[1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxopyridine-3-carbonyl]-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one
CID 172656615
1-(1,3-benzodioxol-5-yl)-4-methyl-3-[3-(methylsulfonylmethyl)pyrrolidine-1-carbonyl]pyridin-2-one
CID 172670114
1-(1,3-benzodioxol-5-yl)-4-methyl-3-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane-9-carbonyl]pyridin-2-one
CID 172659838
methyl 3-[1-[1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxopyridine-3-carbonyl]piperidin-3-yl]propanoate
CID 172667156
1-(1,3-benzodioxol-5-yl)-3-(2-ethylpiperidine-1-carbonyl)-4-methylpyridin-2-one
CID 172668299
1-(1,3-benzodioxol-5-yl)-4-methyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyridin-2-one
CID 172656969
1-(1,3-benzodioxol-5-yl)-N-ethyl-4-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-oxopyridine-3-carboxamide
CID 172672125
1-(1,3-benzodioxol-5-yl)-N,4-dimethyl-2-oxo-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide
CID 172663472
1-(1,3-benzodioxol-5-yl)-4-methyl-3-[2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carbonyl]pyridin-2-one
CID 172668075
1-(1,3-benzodioxol-5-yl)-N-(3,3-difluorocyclobutyl)-4-methyl-2-oxopyridine-3-carboxamide
CID 172664338

Frequently Asked Questions

What is the IUPAC name of 6-[1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxopyridine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 6-[1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxopyridine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one (CID 172660870) is 6-[1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxopyridine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxopyridine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxopyridine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one is Cc1ccn(-c2ccc3c(c2)OCO3)c(=O)c1C(=O)N1Cc2nc(C)n(C)c(=O)c2C1.
What is the InChIKey of 6-[1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxopyridine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is JEYOAFCWBXGYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O5/c1-12-6-7-26(14-4-5-17-18(8-14)31-11-30-17)22(29)19(12)21(28)25-9-15-16(10-25)23-13(2)24(3)20(15)27/h4-8H,9-11H2,1-3H3.
What are the key properties of 6-[1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxopyridine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
6-[1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxopyridine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 420.43 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxopyridine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 172660870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).