6-(2-hydroxy-5-methylbenzoyl)-3-(3-methylbutyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one

C20H23N3O3 — CID 2117624

IUPAC6-(2-hydroxy-5-methylbenzoyl)-3-(3-methylbutyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one
SMILESCc1ccc(O)c(C(=O)c2cnc3c(c2)CN(CCC(C)C)C(=O)N3)c1
InChIInChI=1S/C20H23N3O3/c1-12(2)6-7-23-11-15-9-14(10-21-19(15)22-20(23)26)18(25)16-8-13(3)4-5-17(16)24/h4-5,8-10,12,24H,6-7,11H2,1-3H3,(H,21,22,26)
InChIKeyFNOQTUBJNOCAFZ-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.72
Rot. Bonds5

About 6-(2-hydroxy-5-methylbenzoyl)-3-(3-methylbutyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one

6-(2-hydroxy-5-methylbenzoyl)-3-(3-methylbutyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one (PubChem CID 2117624) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 6-(2-hydroxy-5-methylbenzoyl)-3-(3-methylbutyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name6-(2-hydroxy-5-methylbenzoyl)-3-(3-methylbutyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one
PubChem CID2117624
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name6-(2-hydroxy-5-methylbenzoyl)-3-(3-methylbutyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one
SMILESCc1ccc(O)c(C(=O)c2cnc3c(c2)CN(CCC(C)C)C(=O)N3)c1
InChIInChI=1S/C20H23N3O3/c1-12(2)6-7-23-11-15-9-14(10-21-19(15)22-20(23)26)18(25)16-8-13(3)4-5-17(16)24/h4-5,8-10,12,24H,6-7,11H2,1-3H3,(H,21,22,26)
InChIKeyFNOQTUBJNOCAFZ-UHFFFAOYSA-N
XLogP3.72
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxy-5-methylbenzoyl)-3-(3-methylbutyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 6-(2-hydroxy-5-methylbenzoyl)-3-(3-methylbutyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one (CID 2117624) is 6-(2-hydroxy-5-methylbenzoyl)-3-(3-methylbutyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 6-(2-hydroxy-5-methylbenzoyl)-3-(3-methylbutyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 6-(2-hydroxy-5-methylbenzoyl)-3-(3-methylbutyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one is Cc1ccc(O)c(C(=O)c2cnc3c(c2)CN(CCC(C)C)C(=O)N3)c1.
What is the InChIKey of 6-(2-hydroxy-5-methylbenzoyl)-3-(3-methylbutyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one?
The InChIKey is FNOQTUBJNOCAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-12(2)6-7-23-11-15-9-14(10-21-19(15)22-20(23)26)18(25)16-8-13(3)4-5-17(16)24/h4-5,8-10,12,24H,6-7,11H2,1-3H3,(H,21,22,26).
What are the key properties of 6-(2-hydroxy-5-methylbenzoyl)-3-(3-methylbutyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one?
6-(2-hydroxy-5-methylbenzoyl)-3-(3-methylbutyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one has a molecular weight of 353.42 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxy-5-methylbenzoyl)-3-(3-methylbutyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 2117624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).