1-N'-[7-(4-methoxyphenyl)-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]propane-1,1-diamine

C19H19F3N4O — CID 69402755

IUPAC1-N'-[7-(4-methoxyphenyl)-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]propane-1,1-diamine
SMILESCCC(N)Nc1nc(-c2ccc(OC)cc2)cc2nc(C(F)(F)F)ccc12
InChIInChI=1S/C19H19F3N4O/c1-3-17(23)26-18-13-8-9-16(19(20,21)22)24-15(13)10-14(25-18)11-4-6-12(27-2)7-5-11/h4-10,17H,3,23H2,1-2H3,(H,25,26)
InChIKeyFQEKDMBAHYLWGS-UHFFFAOYSA-N
MW376.38 g/mol
LogP4.43
Rot. Bonds5

About 1-N'-[7-(4-methoxyphenyl)-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]propane-1,1-diamine

1-N'-[7-(4-methoxyphenyl)-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]propane-1,1-diamine (PubChem CID 69402755) has the molecular formula C19H19F3N4O and a molecular weight of 376.38 g/mol. Its IUPAC name is 1-N'-[7-(4-methoxyphenyl)-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]propane-1,1-diamine.

Molecular Properties

Compound Name1-N'-[7-(4-methoxyphenyl)-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]propane-1,1-diamine
PubChem CID69402755
Molecular FormulaC19H19F3N4O
Molecular Weight376.38 g/mol
Exact Mass376.15
IUPAC Name1-N'-[7-(4-methoxyphenyl)-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]propane-1,1-diamine
SMILESCCC(N)Nc1nc(-c2ccc(OC)cc2)cc2nc(C(F)(F)F)ccc12
InChIInChI=1S/C19H19F3N4O/c1-3-17(23)26-18-13-8-9-16(19(20,21)22)24-15(13)10-14(25-18)11-4-6-12(27-2)7-5-11/h4-10,17H,3,23H2,1-2H3,(H,25,26)
InChIKeyFQEKDMBAHYLWGS-UHFFFAOYSA-N
XLogP4.43
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 54.43
H-Bond Donors ≤ 52
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 1-N'-[7-(4-methoxyphenyl)-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]propane-1,1-diamine?
The IUPAC name of 1-N'-[7-(4-methoxyphenyl)-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]propane-1,1-diamine (CID 69402755) is 1-N'-[7-(4-methoxyphenyl)-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]propane-1,1-diamine.
What is the SMILES notation for 1-N'-[7-(4-methoxyphenyl)-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]propane-1,1-diamine?
The canonical SMILES for 1-N'-[7-(4-methoxyphenyl)-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]propane-1,1-diamine is CCC(N)Nc1nc(-c2ccc(OC)cc2)cc2nc(C(F)(F)F)ccc12.
What is the InChIKey of 1-N'-[7-(4-methoxyphenyl)-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]propane-1,1-diamine?
The InChIKey is FQEKDMBAHYLWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O/c1-3-17(23)26-18-13-8-9-16(19(20,21)22)24-15(13)10-14(25-18)11-4-6-12(27-2)7-5-11/h4-10,17H,3,23H2,1-2H3,(H,25,26).
What are the key properties of 1-N'-[7-(4-methoxyphenyl)-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]propane-1,1-diamine?
1-N'-[7-(4-methoxyphenyl)-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]propane-1,1-diamine has a molecular weight of 376.38 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[7-(4-methoxyphenyl)-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]propane-1,1-diamine is sourced from PubChem (CID 69402755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).