(2R)-2-(7-methoxy-1,3-benzodioxol-5-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one

C15H13N3O4 — CID 97063326

IUPAC(2R)-2-(7-methoxy-1,3-benzodioxol-5-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
SMILESCOc1cc([C@H]2NC(=O)c3cccnc3N2)cc2c1OCO2
InChIInChI=1S/C15H13N3O4/c1-20-10-5-8(6-11-12(10)22-7-21-11)13-17-14-9(15(19)18-13)3-2-4-16-14/h2-6,13H,7H2,1H3,(H,16,17)(H,18,19)/t13-/m1/s1
InChIKeyZRGOSBKJYLRFFX-CYBMUJFWSA-N
MW299.29 g/mol
LogP1.67
Rot. Bonds2

About (2R)-2-(7-methoxy-1,3-benzodioxol-5-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one

(2R)-2-(7-methoxy-1,3-benzodioxol-5-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 97063326) has the molecular formula C15H13N3O4 and a molecular weight of 299.29 g/mol. Its IUPAC name is (2R)-2-(7-methoxy-1,3-benzodioxol-5-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name(2R)-2-(7-methoxy-1,3-benzodioxol-5-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID97063326
Molecular FormulaC15H13N3O4
Molecular Weight299.29 g/mol
Exact Mass299.09
IUPAC Name(2R)-2-(7-methoxy-1,3-benzodioxol-5-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
SMILESCOc1cc([C@H]2NC(=O)c3cccnc3N2)cc2c1OCO2
InChIInChI=1S/C15H13N3O4/c1-20-10-5-8(6-11-12(10)22-7-21-11)13-17-14-9(15(19)18-13)3-2-4-16-14/h2-6,13H,7H2,1H3,(H,16,17)(H,18,19)/t13-/m1/s1
InChIKeyZRGOSBKJYLRFFX-CYBMUJFWSA-N
XLogP1.67
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(7-methoxy-1,3-benzodioxol-5-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of (2R)-2-(7-methoxy-1,3-benzodioxol-5-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one (CID 97063326) is (2R)-2-(7-methoxy-1,3-benzodioxol-5-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for (2R)-2-(7-methoxy-1,3-benzodioxol-5-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for (2R)-2-(7-methoxy-1,3-benzodioxol-5-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one is COc1cc([C@H]2NC(=O)c3cccnc3N2)cc2c1OCO2.
What is the InChIKey of (2R)-2-(7-methoxy-1,3-benzodioxol-5-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is ZRGOSBKJYLRFFX-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H13N3O4/c1-20-10-5-8(6-11-12(10)22-7-21-11)13-17-14-9(15(19)18-13)3-2-4-16-14/h2-6,13H,7H2,1H3,(H,16,17)(H,18,19)/t13-/m1/s1.
What are the key properties of (2R)-2-(7-methoxy-1,3-benzodioxol-5-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
(2R)-2-(7-methoxy-1,3-benzodioxol-5-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 299.29 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(7-methoxy-1,3-benzodioxol-5-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 97063326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).