4-[(5,7-dimethoxy-1,6-naphthyridin-4-yl)oxy]-3,5-difluoroaniline;4-methoxypyridine-3-carbaldehyde

C23H20F2N4O5 — CID 176567519

IUPAC4-[(5,7-dimethoxy-1,6-naphthyridin-4-yl)oxy]-3,5-difluoroaniline;4-methoxypyridine-3-carbaldehyde
SMILESCOc1cc2nccc(Oc3c(F)cc(N)cc3F)c2c(OC)n1.COc1ccncc1C=O
InChIInChI=1S/C16H13F2N3O3.C7H7NO2/c1-22-13-7-11-14(16(21-13)23-2)12(3-4-20-11)24-15-9(17)5-8(19)6-10(15)18;1-10-7-2-3-8-4-6(7)5-9/h3-7H,19H2,1-2H3;2-5H,1H3
InChIKeyCUCIDWXIHNHHRW-UHFFFAOYSA-N
MW470.43 g/mol
LogP4.20
Rot. Bonds6

About 4-[(5,7-dimethoxy-1,6-naphthyridin-4-yl)oxy]-3,5-difluoroaniline;4-methoxypyridine-3-carbaldehyde

4-[(5,7-dimethoxy-1,6-naphthyridin-4-yl)oxy]-3,5-difluoroaniline;4-methoxypyridine-3-carbaldehyde (PubChem CID 176567519) has the molecular formula C23H20F2N4O5 and a molecular weight of 470.43 g/mol. Its IUPAC name is 4-[(5,7-dimethoxy-1,6-naphthyridin-4-yl)oxy]-3,5-difluoroaniline;4-methoxypyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-[(5,7-dimethoxy-1,6-naphthyridin-4-yl)oxy]-3,5-difluoroaniline;4-methoxypyridine-3-carbaldehyde
PubChem CID176567519
Molecular FormulaC23H20F2N4O5
Molecular Weight470.43 g/mol
Exact Mass470.14
IUPAC Name4-[(5,7-dimethoxy-1,6-naphthyridin-4-yl)oxy]-3,5-difluoroaniline;4-methoxypyridine-3-carbaldehyde
SMILESCOc1cc2nccc(Oc3c(F)cc(N)cc3F)c2c(OC)n1.COc1ccncc1C=O
InChIInChI=1S/C16H13F2N3O3.C7H7NO2/c1-22-13-7-11-14(16(21-13)23-2)12(3-4-20-11)24-15-9(17)5-8(19)6-10(15)18;1-10-7-2-3-8-4-6(7)5-9/h3-7H,19H2,1-2H3;2-5H,1H3
InChIKeyCUCIDWXIHNHHRW-UHFFFAOYSA-N
XLogP4.20
TPSA118.68 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.43
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(5,7-dimethoxy-1,6-naphthyridin-4-yl)oxy]-3,5-difluoroaniline;4-methoxypyridine-3-carbaldehyde?
The IUPAC name of 4-[(5,7-dimethoxy-1,6-naphthyridin-4-yl)oxy]-3,5-difluoroaniline;4-methoxypyridine-3-carbaldehyde (CID 176567519) is 4-[(5,7-dimethoxy-1,6-naphthyridin-4-yl)oxy]-3,5-difluoroaniline;4-methoxypyridine-3-carbaldehyde.
What is the SMILES notation for 4-[(5,7-dimethoxy-1,6-naphthyridin-4-yl)oxy]-3,5-difluoroaniline;4-methoxypyridine-3-carbaldehyde?
The canonical SMILES for 4-[(5,7-dimethoxy-1,6-naphthyridin-4-yl)oxy]-3,5-difluoroaniline;4-methoxypyridine-3-carbaldehyde is COc1cc2nccc(Oc3c(F)cc(N)cc3F)c2c(OC)n1.COc1ccncc1C=O.
What is the InChIKey of 4-[(5,7-dimethoxy-1,6-naphthyridin-4-yl)oxy]-3,5-difluoroaniline;4-methoxypyridine-3-carbaldehyde?
The InChIKey is CUCIDWXIHNHHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O3.C7H7NO2/c1-22-13-7-11-14(16(21-13)23-2)12(3-4-20-11)24-15-9(17)5-8(19)6-10(15)18;1-10-7-2-3-8-4-6(7)5-9/h3-7H,19H2,1-2H3;2-5H,1H3.
What are the key properties of 4-[(5,7-dimethoxy-1,6-naphthyridin-4-yl)oxy]-3,5-difluoroaniline;4-methoxypyridine-3-carbaldehyde?
4-[(5,7-dimethoxy-1,6-naphthyridin-4-yl)oxy]-3,5-difluoroaniline;4-methoxypyridine-3-carbaldehyde has a molecular weight of 470.43 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,7-dimethoxy-1,6-naphthyridin-4-yl)oxy]-3,5-difluoroaniline;4-methoxypyridine-3-carbaldehyde is sourced from PubChem (CID 176567519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).