1-[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-ethoxyethanone

C17H24N2O3 — CID 97463820

IUPAC1-[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-ethoxyethanone
SMILESCCOCC(=O)N1CCc2c(COCC3CC3)cncc2C1
InChIInChI=1S/C17H24N2O3/c1-2-21-12-17(20)19-6-5-16-14(9-19)7-18-8-15(16)11-22-10-13-3-4-13/h7-8,13H,2-6,9-12H2,1H3
InChIKeyWRNYEHQLNFJDMS-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.93
Rot. Bonds7

About 1-[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-ethoxyethanone

1-[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-ethoxyethanone (PubChem CID 97463820) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-ethoxyethanone.

Molecular Properties

Compound Name1-[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-ethoxyethanone
PubChem CID97463820
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name1-[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-ethoxyethanone
SMILESCCOCC(=O)N1CCc2c(COCC3CC3)cncc2C1
InChIInChI=1S/C17H24N2O3/c1-2-21-12-17(20)19-6-5-16-14(9-19)7-18-8-15(16)11-22-10-13-3-4-13/h7-8,13H,2-6,9-12H2,1H3
InChIKeyWRNYEHQLNFJDMS-UHFFFAOYSA-N
XLogP1.93
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-ethoxyethanone?
The IUPAC name of 1-[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-ethoxyethanone (CID 97463820) is 1-[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-ethoxyethanone.
What is the SMILES notation for 1-[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-ethoxyethanone?
The canonical SMILES for 1-[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-ethoxyethanone is CCOCC(=O)N1CCc2c(COCC3CC3)cncc2C1.
What is the InChIKey of 1-[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-ethoxyethanone?
The InChIKey is WRNYEHQLNFJDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-2-21-12-17(20)19-6-5-16-14(9-19)7-18-8-15(16)11-22-10-13-3-4-13/h7-8,13H,2-6,9-12H2,1H3.
What are the key properties of 1-[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-ethoxyethanone?
1-[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-ethoxyethanone has a molecular weight of 304.39 g/mol, XLogP of 1.93, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-ethoxyethanone is sourced from PubChem (CID 97463820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).