(2S)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one

C15H13N3O3 — CID 95278518

IUPAC(2S)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=C1N[C@@H](c2cccc3c2OCCO3)Nc2ncccc21
InChIInChI=1S/C15H13N3O3/c19-15-10-4-2-6-16-13(10)17-14(18-15)9-3-1-5-11-12(9)21-8-7-20-11/h1-6,14H,7-8H2,(H,16,17)(H,18,19)/t14-/m0/s1
InChIKeyWMNLPGJZXDYHQC-AWEZNQCLSA-N
MW283.29 g/mol
LogP1.71
Rot. Bonds1

About (2S)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one

(2S)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 95278518) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is (2S)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name(2S)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID95278518
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name(2S)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=C1N[C@@H](c2cccc3c2OCCO3)Nc2ncccc21
InChIInChI=1S/C15H13N3O3/c19-15-10-4-2-6-16-13(10)17-14(18-15)9-3-1-5-11-12(9)21-8-7-20-11/h1-6,14H,7-8H2,(H,16,17)(H,18,19)/t14-/m0/s1
InChIKeyWMNLPGJZXDYHQC-AWEZNQCLSA-N
XLogP1.71
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of (2S)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one (CID 95278518) is (2S)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for (2S)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for (2S)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one is O=C1N[C@@H](c2cccc3c2OCCO3)Nc2ncccc21.
What is the InChIKey of (2S)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is WMNLPGJZXDYHQC-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H13N3O3/c19-15-10-4-2-6-16-13(10)17-14(18-15)9-3-1-5-11-12(9)21-8-7-20-11/h1-6,14H,7-8H2,(H,16,17)(H,18,19)/t14-/m0/s1.
What are the key properties of (2S)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
(2S)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 283.29 g/mol, XLogP of 1.71, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 95278518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).