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

C19H21N3O4 — CID 2110953

IUPAC3-butyl-6-(2-hydroxy-5-methoxybenzoyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one
SMILESCCCCN1Cc2cc(C(=O)c3cc(OC)ccc3O)cnc2NC1=O
InChIInChI=1S/C19H21N3O4/c1-3-4-7-22-11-13-8-12(10-20-18(13)21-19(22)25)17(24)15-9-14(26-2)5-6-16(15)23/h5-6,8-10,23H,3-4,7,11H2,1-2H3,(H,20,21,25)
InChIKeyPSMKMYJHYGEXLX-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.17
Rot. Bonds6

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

3-butyl-6-(2-hydroxy-5-methoxybenzoyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one (PubChem CID 2110953) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 3-butyl-6-(2-hydroxy-5-methoxybenzoyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name3-butyl-6-(2-hydroxy-5-methoxybenzoyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one
PubChem CID2110953
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name3-butyl-6-(2-hydroxy-5-methoxybenzoyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one
SMILESCCCCN1Cc2cc(C(=O)c3cc(OC)ccc3O)cnc2NC1=O
InChIInChI=1S/C19H21N3O4/c1-3-4-7-22-11-13-8-12(10-20-18(13)21-19(22)25)17(24)15-9-14(26-2)5-6-16(15)23/h5-6,8-10,23H,3-4,7,11H2,1-2H3,(H,20,21,25)
InChIKeyPSMKMYJHYGEXLX-UHFFFAOYSA-N
XLogP3.17
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-6-(2-hydroxy-5-methoxybenzoyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 3-butyl-6-(2-hydroxy-5-methoxybenzoyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one (CID 2110953) is 3-butyl-6-(2-hydroxy-5-methoxybenzoyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 3-butyl-6-(2-hydroxy-5-methoxybenzoyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 3-butyl-6-(2-hydroxy-5-methoxybenzoyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one is CCCCN1Cc2cc(C(=O)c3cc(OC)ccc3O)cnc2NC1=O.
What is the InChIKey of 3-butyl-6-(2-hydroxy-5-methoxybenzoyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one?
The InChIKey is PSMKMYJHYGEXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-3-4-7-22-11-13-8-12(10-20-18(13)21-19(22)25)17(24)15-9-14(26-2)5-6-16(15)23/h5-6,8-10,23H,3-4,7,11H2,1-2H3,(H,20,21,25).
What are the key properties of 3-butyl-6-(2-hydroxy-5-methoxybenzoyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one?
3-butyl-6-(2-hydroxy-5-methoxybenzoyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one has a molecular weight of 355.39 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-6-(2-hydroxy-5-methoxybenzoyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 2110953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).