[5-(ethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(3-fluoro-4-pyridinyl)methanone

C17H18FN3O2 — CID 97463723

IUPAC[5-(ethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(3-fluoro-4-pyridinyl)methanone
SMILESCCOCc1cncc2c1CCN(C(=O)c1ccncc1F)C2
InChIInChI=1S/C17H18FN3O2/c1-2-23-11-13-8-20-7-12-10-21(6-4-14(12)13)17(22)15-3-5-19-9-16(15)18/h3,5,7-9H,2,4,6,10-11H2,1H3
InChIKeyQDIAMGBUVZKDJK-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.35
Rot. Bonds4

About [5-(ethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(3-fluoro-4-pyridinyl)methanone

[5-(ethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(3-fluoro-4-pyridinyl)methanone (PubChem CID 97463723) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is [5-(ethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(3-fluoro-4-pyridinyl)methanone.

Molecular Properties

Compound Name[5-(ethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(3-fluoro-4-pyridinyl)methanone
PubChem CID97463723
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name[5-(ethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(3-fluoro-4-pyridinyl)methanone
SMILESCCOCc1cncc2c1CCN(C(=O)c1ccncc1F)C2
InChIInChI=1S/C17H18FN3O2/c1-2-23-11-13-8-20-7-12-10-21(6-4-14(12)13)17(22)15-3-5-19-9-16(15)18/h3,5,7-9H,2,4,6,10-11H2,1H3
InChIKeyQDIAMGBUVZKDJK-UHFFFAOYSA-N
XLogP2.35
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(ethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(3-fluoro-4-pyridinyl)methanone?
The IUPAC name of [5-(ethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(3-fluoro-4-pyridinyl)methanone (CID 97463723) is [5-(ethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(3-fluoro-4-pyridinyl)methanone.
What is the SMILES notation for [5-(ethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(3-fluoro-4-pyridinyl)methanone?
The canonical SMILES for [5-(ethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(3-fluoro-4-pyridinyl)methanone is CCOCc1cncc2c1CCN(C(=O)c1ccncc1F)C2.
What is the InChIKey of [5-(ethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(3-fluoro-4-pyridinyl)methanone?
The InChIKey is QDIAMGBUVZKDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c1-2-23-11-13-8-20-7-12-10-21(6-4-14(12)13)17(22)15-3-5-19-9-16(15)18/h3,5,7-9H,2,4,6,10-11H2,1H3.
What are the key properties of [5-(ethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(3-fluoro-4-pyridinyl)methanone?
[5-(ethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(3-fluoro-4-pyridinyl)methanone has a molecular weight of 315.35 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(ethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(3-fluoro-4-pyridinyl)methanone is sourced from PubChem (CID 97463723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).