2-methoxy-1-[5-(pyridin-2-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone

C18H21N3O3 — CID 97463848

IUPAC2-methoxy-1-[5-(pyridin-2-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone
SMILESCOCC(=O)N1CCc2c(COCc3ccccn3)cncc2C1
InChIInChI=1S/C18H21N3O3/c1-23-13-18(22)21-7-5-17-14(10-21)8-19-9-15(17)11-24-12-16-4-2-3-6-20-16/h2-4,6,8-9H,5,7,10-13H2,1H3
InChIKeyGOIOCMXDUUCUGH-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.72
Rot. Bonds6

About 2-methoxy-1-[5-(pyridin-2-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone

2-methoxy-1-[5-(pyridin-2-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone (PubChem CID 97463848) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-methoxy-1-[5-(pyridin-2-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[5-(pyridin-2-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone
PubChem CID97463848
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name2-methoxy-1-[5-(pyridin-2-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone
SMILESCOCC(=O)N1CCc2c(COCc3ccccn3)cncc2C1
InChIInChI=1S/C18H21N3O3/c1-23-13-18(22)21-7-5-17-14(10-21)8-19-9-15(17)11-24-12-16-4-2-3-6-20-16/h2-4,6,8-9H,5,7,10-13H2,1H3
InChIKeyGOIOCMXDUUCUGH-UHFFFAOYSA-N
XLogP1.72
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methoxy-1-[5-(pyridin-2-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone with MolForge

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Related Compounds

7-(2-pyridin-2-ylacetyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 112532701
5-(methoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine;bis(2,2,2-trifluoroacetic acid)
CID 171692922
1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-methoxyethanone
CID 64592092
1-[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone
CID 97463707
1-[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-ethoxyethanone
CID 97463820
5-(pyridin-3-ylmethoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine;bis(2,2,2-trifluoroacetic acid)
CID 171689858
5-(pyridin-3-ylmethoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine;tetrakis(2,2,2-trifluoroacetic acid)
CID 155862215
3-phenyl-1-[5-(prop-2-enoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]propan-1-one
CID 124869444
[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(1-methylpyrrol-2-yl)methanone
CID 97381920
[5-(pyridin-3-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(1H-pyrrol-2-yl)methanone
CID 97389692
furan-2-yl-[5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone
CID 97381988
5-(2-methoxyacetyl)-N-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 42876698

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[5-(pyridin-2-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone?
The IUPAC name of 2-methoxy-1-[5-(pyridin-2-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone (CID 97463848) is 2-methoxy-1-[5-(pyridin-2-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[5-(pyridin-2-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[5-(pyridin-2-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone is COCC(=O)N1CCc2c(COCc3ccccn3)cncc2C1.
What is the InChIKey of 2-methoxy-1-[5-(pyridin-2-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone?
The InChIKey is GOIOCMXDUUCUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-23-13-18(22)21-7-5-17-14(10-21)8-19-9-15(17)11-24-12-16-4-2-3-6-20-16/h2-4,6,8-9H,5,7,10-13H2,1H3.
What are the key properties of 2-methoxy-1-[5-(pyridin-2-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone?
2-methoxy-1-[5-(pyridin-2-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone has a molecular weight of 327.38 g/mol, XLogP of 1.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[5-(pyridin-2-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone is sourced from PubChem (CID 97463848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).