[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-pyridin-4-ylmethanone

C16H17N3O2 — CID 97406094

IUPAC[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-pyridin-4-ylmethanone
SMILESCOCc1cncc2c1CCN(C(=O)c1ccncc1)C2
InChIInChI=1S/C16H17N3O2/c1-21-11-14-9-18-8-13-10-19(7-4-15(13)14)16(20)12-2-5-17-6-3-12/h2-3,5-6,8-9H,4,7,10-11H2,1H3
InChIKeyGEPDSGPOXHMPDI-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.82
Rot. Bonds3

About [5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-pyridin-4-ylmethanone

[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-pyridin-4-ylmethanone (PubChem CID 97406094) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is [5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-pyridin-4-ylmethanone
PubChem CID97406094
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-pyridin-4-ylmethanone
SMILESCOCc1cncc2c1CCN(C(=O)c1ccncc1)C2
InChIInChI=1S/C16H17N3O2/c1-21-11-14-9-18-8-13-10-19(7-4-15(13)14)16(20)12-2-5-17-6-3-12/h2-3,5-6,8-9H,4,7,10-11H2,1H3
InChIKeyGEPDSGPOXHMPDI-UHFFFAOYSA-N
XLogP1.82
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-pyridin-4-ylmethanone?
The IUPAC name of [5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-pyridin-4-ylmethanone (CID 97406094) is [5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-pyridin-4-ylmethanone is COCc1cncc2c1CCN(C(=O)c1ccncc1)C2.
What is the InChIKey of [5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-pyridin-4-ylmethanone?
The InChIKey is GEPDSGPOXHMPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-21-11-14-9-18-8-13-10-19(7-4-15(13)14)16(20)12-2-5-17-6-3-12/h2-3,5-6,8-9H,4,7,10-11H2,1H3.
What are the key properties of [5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-pyridin-4-ylmethanone?
[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-pyridin-4-ylmethanone has a molecular weight of 283.33 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 97406094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).