7-(dimethoxymethyl)-6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine

C16H25N3O2 — CID 118036593

IUPAC7-(dimethoxymethyl)-6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESCOC(OC)c1nc2c(cc1CN1CCCC1)CCCN2
InChIInChI=1S/C16H25N3O2/c1-20-16(21-2)14-13(11-19-8-3-4-9-19)10-12-6-5-7-17-15(12)18-14/h10,16H,3-9,11H2,1-2H3,(H,17,18)
InChIKeyVVGYLZXAFDOSSP-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.33
Rot. Bonds5

About 7-(dimethoxymethyl)-6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine

7-(dimethoxymethyl)-6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine (PubChem CID 118036593) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 7-(dimethoxymethyl)-6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine.

Molecular Properties

Compound Name7-(dimethoxymethyl)-6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
PubChem CID118036593
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name7-(dimethoxymethyl)-6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESCOC(OC)c1nc2c(cc1CN1CCCC1)CCCN2
InChIInChI=1S/C16H25N3O2/c1-20-16(21-2)14-13(11-19-8-3-4-9-19)10-12-6-5-7-17-15(12)18-14/h10,16H,3-9,11H2,1-2H3,(H,17,18)
InChIKeyVVGYLZXAFDOSSP-UHFFFAOYSA-N
XLogP2.33
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(dimethoxymethyl)-6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine?
The IUPAC name of 7-(dimethoxymethyl)-6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine (CID 118036593) is 7-(dimethoxymethyl)-6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine.
What is the SMILES notation for 7-(dimethoxymethyl)-6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine?
The canonical SMILES for 7-(dimethoxymethyl)-6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine is COC(OC)c1nc2c(cc1CN1CCCC1)CCCN2.
What is the InChIKey of 7-(dimethoxymethyl)-6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine?
The InChIKey is VVGYLZXAFDOSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-20-16(21-2)14-13(11-19-8-3-4-9-19)10-12-6-5-7-17-15(12)18-14/h10,16H,3-9,11H2,1-2H3,(H,17,18).
What are the key properties of 7-(dimethoxymethyl)-6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine?
7-(dimethoxymethyl)-6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine has a molecular weight of 291.39 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethoxymethyl)-6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine is sourced from PubChem (CID 118036593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).