7-[(2S)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

C22H24N4O4 — CID 39680391

IUPAC7-[(2S)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCOc1ccc([C@@H]2CCCN2C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cc1
InChIInChI=1S/C22H24N4O4/c1-4-30-15-9-7-14(8-10-15)18-6-5-13-26(18)21(28)17-12-11-16-19(23-17)24(2)22(29)25(3)20(16)27/h7-12,18H,4-6,13H2,1-3H3/t18-/m0/s1
InChIKeyIMEQKXQCJOKEDI-SFHVURJKSA-N
MW408.46 g/mol
LogP2.01
Rot. Bonds4

About 7-[(2S)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

7-[(2S)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 39680391) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is 7-[(2S)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-[(2S)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID39680391
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name7-[(2S)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCOc1ccc([C@@H]2CCCN2C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cc1
InChIInChI=1S/C22H24N4O4/c1-4-30-15-9-7-14(8-10-15)18-6-5-13-26(18)21(28)17-12-11-16-19(23-17)24(2)22(29)25(3)20(16)27/h7-12,18H,4-6,13H2,1-3H3/t18-/m0/s1
InChIKeyIMEQKXQCJOKEDI-SFHVURJKSA-N
XLogP2.01
TPSA86.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-[(2S)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

(2,4-dimethyl-1,3-thiazol-5-yl)-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone
CID 86918269
7-[2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 55582095
1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]butan-1-one
CID 134017853
1,3-dimethyl-7-[(2R)-2-[(1R)-2-oxocyclopentyl]pyrrolidine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 97251428
5-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 92626865
1,3-dimethyl-7-[3-(phenoxymethyl)piperidine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 86971359
4-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-2-phenylphthalazin-1-one
CID 41059504
7-[(3S)-3-ethylpiperidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 38902551
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 55668774
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 51257064
1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 55670259
3-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 92626055

Frequently Asked Questions

What is the IUPAC name of 7-[(2S)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-[(2S)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (CID 39680391) is 7-[(2S)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-[(2S)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-[(2S)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is CCOc1ccc([C@@H]2CCCN2C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cc1.
What is the InChIKey of 7-[(2S)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is IMEQKXQCJOKEDI-SFHVURJKSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-4-30-15-9-7-14(8-10-15)18-6-5-13-26(18)21(28)17-12-11-16-19(23-17)24(2)22(29)25(3)20(16)27/h7-12,18H,4-6,13H2,1-3H3/t18-/m0/s1.
What are the key properties of 7-[(2S)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
7-[(2S)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 408.46 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2S)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 39680391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).