3-phenylmethoxy-6-pyridin-3-yl-7,8-dihydro-1,6-naphthyridin-5-one

C20H17N3O2 — CID 57415342

IUPAC3-phenylmethoxy-6-pyridin-3-yl-7,8-dihydro-1,6-naphthyridin-5-one
SMILESO=C1c2cc(OCc3ccccc3)cnc2CCN1c1cccnc1
InChIInChI=1S/C20H17N3O2/c24-20-18-11-17(25-14-15-5-2-1-3-6-15)13-22-19(18)8-10-23(20)16-7-4-9-21-12-16/h1-7,9,11-13H,8,10,14H2
InChIKeySMYXCTSNIFRMBE-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.26
Rot. Bonds4

About 3-phenylmethoxy-6-pyridin-3-yl-7,8-dihydro-1,6-naphthyridin-5-one

3-phenylmethoxy-6-pyridin-3-yl-7,8-dihydro-1,6-naphthyridin-5-one (PubChem CID 57415342) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 3-phenylmethoxy-6-pyridin-3-yl-7,8-dihydro-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name3-phenylmethoxy-6-pyridin-3-yl-7,8-dihydro-1,6-naphthyridin-5-one
PubChem CID57415342
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name3-phenylmethoxy-6-pyridin-3-yl-7,8-dihydro-1,6-naphthyridin-5-one
SMILESO=C1c2cc(OCc3ccccc3)cnc2CCN1c1cccnc1
InChIInChI=1S/C20H17N3O2/c24-20-18-11-17(25-14-15-5-2-1-3-6-15)13-22-19(18)8-10-23(20)16-7-4-9-21-12-16/h1-7,9,11-13H,8,10,14H2
InChIKeySMYXCTSNIFRMBE-UHFFFAOYSA-N
XLogP3.26
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxy-6-pyridin-3-yl-7,8-dihydro-1,6-naphthyridin-5-one?
The IUPAC name of 3-phenylmethoxy-6-pyridin-3-yl-7,8-dihydro-1,6-naphthyridin-5-one (CID 57415342) is 3-phenylmethoxy-6-pyridin-3-yl-7,8-dihydro-1,6-naphthyridin-5-one.
What is the SMILES notation for 3-phenylmethoxy-6-pyridin-3-yl-7,8-dihydro-1,6-naphthyridin-5-one?
The canonical SMILES for 3-phenylmethoxy-6-pyridin-3-yl-7,8-dihydro-1,6-naphthyridin-5-one is O=C1c2cc(OCc3ccccc3)cnc2CCN1c1cccnc1.
What is the InChIKey of 3-phenylmethoxy-6-pyridin-3-yl-7,8-dihydro-1,6-naphthyridin-5-one?
The InChIKey is SMYXCTSNIFRMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c24-20-18-11-17(25-14-15-5-2-1-3-6-15)13-22-19(18)8-10-23(20)16-7-4-9-21-12-16/h1-7,9,11-13H,8,10,14H2.
What are the key properties of 3-phenylmethoxy-6-pyridin-3-yl-7,8-dihydro-1,6-naphthyridin-5-one?
3-phenylmethoxy-6-pyridin-3-yl-7,8-dihydro-1,6-naphthyridin-5-one has a molecular weight of 331.38 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxy-6-pyridin-3-yl-7,8-dihydro-1,6-naphthyridin-5-one is sourced from PubChem (CID 57415342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).