7-(2-hydroxy-4-methoxyphenyl)-1-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione

C20H16N4O4 — CID 146048788

IUPAC7-(2-hydroxy-4-methoxyphenyl)-1-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(-c2ccc3c(=O)[nH]c(=O)n(Cc4cccnc4)c3n2)c(O)c1
InChIInChI=1S/C20H16N4O4/c1-28-13-4-5-14(17(25)9-13)16-7-6-15-18(22-16)24(20(27)23-19(15)26)11-12-3-2-8-21-10-12/h2-10,25H,11H2,1H3,(H,23,26,27)
InChIKeyZTFWBTSXXLKHBY-UHFFFAOYSA-N
MW376.37 g/mol
LogP1.91
Rot. Bonds4

About 7-(2-hydroxy-4-methoxyphenyl)-1-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione

7-(2-hydroxy-4-methoxyphenyl)-1-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 146048788) has the molecular formula C20H16N4O4 and a molecular weight of 376.37 g/mol. Its IUPAC name is 7-(2-hydroxy-4-methoxyphenyl)-1-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-(2-hydroxy-4-methoxyphenyl)-1-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID146048788
Molecular FormulaC20H16N4O4
Molecular Weight376.37 g/mol
Exact Mass376.12
IUPAC Name7-(2-hydroxy-4-methoxyphenyl)-1-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(-c2ccc3c(=O)[nH]c(=O)n(Cc4cccnc4)c3n2)c(O)c1
InChIInChI=1S/C20H16N4O4/c1-28-13-4-5-14(17(25)9-13)16-7-6-15-18(22-16)24(20(27)23-19(15)26)11-12-3-2-8-21-10-12/h2-10,25H,11H2,1H3,(H,23,26,27)
InChIKeyZTFWBTSXXLKHBY-UHFFFAOYSA-N
XLogP1.91
TPSA110.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

7-(2-hydroxy-4-methoxyphenyl)-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 146048739
1-(1,3-benzodioxol-5-ylmethyl)-7-(2-hydroxy-5-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 154925268
7-(2-hydroxy-5-methoxyphenyl)-1-(2-methoxyethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 154925291
7-(2-hydroxy-4-methoxyphenyl)-1-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 146048803
7-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-1-(pyridin-3-ylmethyl)-2-sulfanylidenepyrido[2,3-d]pyrimidin-4-one
CID 135638232
1-(4-fluorophenyl)-7-(2-hydroxy-5-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 146048975
7-(2-hydroxy-4-methoxyphenyl)-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one
CID 146048988
3-benzyl-5-(2,4-dimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one
CID 11646232
7-hydroxy-2-propan-2-yl-3-(pyridin-3-ylmethyl)quinazolin-4-one
CID 67112722
7-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-1-(3-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 135638894
2-(2-cyclopropyl-4-methoxyphenyl)-8-hydroxy-3-(pyridin-3-ylmethyl)-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 169265193
1-[(4-chlorophenyl)methyl]-7-(7-hydroxy-3,4,8-trimethyl-2-oxochromen-6-yl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 146048774

Frequently Asked Questions

What is the IUPAC name of 7-(2-hydroxy-4-methoxyphenyl)-1-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-(2-hydroxy-4-methoxyphenyl)-1-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 146048788) is 7-(2-hydroxy-4-methoxyphenyl)-1-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-(2-hydroxy-4-methoxyphenyl)-1-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-(2-hydroxy-4-methoxyphenyl)-1-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione is COc1ccc(-c2ccc3c(=O)[nH]c(=O)n(Cc4cccnc4)c3n2)c(O)c1.
What is the InChIKey of 7-(2-hydroxy-4-methoxyphenyl)-1-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is ZTFWBTSXXLKHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O4/c1-28-13-4-5-14(17(25)9-13)16-7-6-15-18(22-16)24(20(27)23-19(15)26)11-12-3-2-8-21-10-12/h2-10,25H,11H2,1H3,(H,23,26,27).
What are the key properties of 7-(2-hydroxy-4-methoxyphenyl)-1-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
7-(2-hydroxy-4-methoxyphenyl)-1-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 376.37 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-hydroxy-4-methoxyphenyl)-1-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 146048788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).