5-(methoxymethyl)-2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine

C16H19N3O — CID 97381914

IUPAC5-(methoxymethyl)-2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine
SMILESCOCc1cncc2c1CCN(Cc1cccnc1)C2
InChIInChI=1S/C16H19N3O/c1-20-12-15-9-18-8-14-11-19(6-4-16(14)15)10-13-3-2-5-17-7-13/h2-3,5,7-9H,4,6,10-12H2,1H3
InChIKeyCAJDVJJTOSDPLB-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.18
Rot. Bonds4

About 5-(methoxymethyl)-2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine

5-(methoxymethyl)-2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine (PubChem CID 97381914) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 5-(methoxymethyl)-2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine.

Molecular Properties

Compound Name5-(methoxymethyl)-2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine
PubChem CID97381914
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name5-(methoxymethyl)-2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine
SMILESCOCc1cncc2c1CCN(Cc1cccnc1)C2
InChIInChI=1S/C16H19N3O/c1-20-12-15-9-18-8-14-11-19(6-4-16(14)15)10-13-3-2-5-17-7-13/h2-3,5,7-9H,4,6,10-12H2,1H3
InChIKeyCAJDVJJTOSDPLB-UHFFFAOYSA-N
XLogP2.18
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(methoxymethyl)-2-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-2,7-naphthyridine
CID 97381908
5-(prop-2-enoxymethyl)-2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine;tris(2,2,2-trifluoroacetic acid)
CID 155832693
5-(cyclopropylmethoxymethyl)-2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine;bis(2,2,2-trifluoroacetic acid)
CID 171688737
N-[[7-(furan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-N-methyl-1-pyridin-3-ylmethanamine;trihydrochloride
CID 118742168
5-(methoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine;bis(2,2,2-trifluoroacetic acid)
CID 171692922
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
2-[(7-benzyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methoxy]-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid)
CID 118746102
1-[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone
CID 97463707
[5-(pyridin-3-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(1H-pyrrol-2-yl)methanone
CID 97389692
2-[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid)
CID 155839827
2-(cyclopropylmethyl)-5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine;bis(2,2,2-trifluoroacetic acid)
CID 155846251

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine?
The IUPAC name of 5-(methoxymethyl)-2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine (CID 97381914) is 5-(methoxymethyl)-2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine.
What is the SMILES notation for 5-(methoxymethyl)-2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine?
The canonical SMILES for 5-(methoxymethyl)-2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine is COCc1cncc2c1CCN(Cc1cccnc1)C2.
What is the InChIKey of 5-(methoxymethyl)-2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine?
The InChIKey is CAJDVJJTOSDPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-20-12-15-9-18-8-14-11-19(6-4-16(14)15)10-13-3-2-5-17-7-13/h2-3,5,7-9H,4,6,10-12H2,1H3.
What are the key properties of 5-(methoxymethyl)-2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine?
5-(methoxymethyl)-2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine has a molecular weight of 269.35 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine is sourced from PubChem (CID 97381914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).