N'-[7-[3-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-yl]propane-1,3-diamine

C18H17F3N4 — CID 10150032

IUPACN'-[7-[3-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-yl]propane-1,3-diamine
SMILESNCCCNc1nc(-c2cccc(C(F)(F)F)c2)cc2ncccc12
InChIInChI=1S/C18H17F3N4/c19-18(20,21)13-5-1-4-12(10-13)15-11-16-14(6-2-8-23-16)17(25-15)24-9-3-7-22/h1-2,4-6,8,10-11H,3,7,9,22H2,(H,24,25)
InChIKeyVZYNYQLCAKUWRO-UHFFFAOYSA-N
MW346.36 g/mol
LogP4.08
Rot. Bonds5

About N'-[7-[3-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-yl]propane-1,3-diamine

N'-[7-[3-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-yl]propane-1,3-diamine (PubChem CID 10150032) has the molecular formula C18H17F3N4 and a molecular weight of 346.36 g/mol. Its IUPAC name is N'-[7-[3-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[7-[3-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-yl]propane-1,3-diamine
PubChem CID10150032
Molecular FormulaC18H17F3N4
Molecular Weight346.36 g/mol
Exact Mass346.14
IUPAC NameN'-[7-[3-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-yl]propane-1,3-diamine
SMILESNCCCNc1nc(-c2cccc(C(F)(F)F)c2)cc2ncccc12
InChIInChI=1S/C18H17F3N4/c19-18(20,21)13-5-1-4-12(10-13)15-11-16-14(6-2-8-23-16)17(25-15)24-9-3-7-22/h1-2,4-6,8,10-11H,3,7,9,22H2,(H,24,25)
InChIKeyVZYNYQLCAKUWRO-UHFFFAOYSA-N
XLogP4.08
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[7-[3-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-yl]propane-1,3-diamine?
The IUPAC name of N'-[7-[3-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-yl]propane-1,3-diamine (CID 10150032) is N'-[7-[3-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-yl]propane-1,3-diamine.
What is the SMILES notation for N'-[7-[3-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-yl]propane-1,3-diamine?
The canonical SMILES for N'-[7-[3-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-yl]propane-1,3-diamine is NCCCNc1nc(-c2cccc(C(F)(F)F)c2)cc2ncccc12.
What is the InChIKey of N'-[7-[3-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-yl]propane-1,3-diamine?
The InChIKey is VZYNYQLCAKUWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4/c19-18(20,21)13-5-1-4-12(10-13)15-11-16-14(6-2-8-23-16)17(25-15)24-9-3-7-22/h1-2,4-6,8,10-11H,3,7,9,22H2,(H,24,25).
What are the key properties of N'-[7-[3-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-yl]propane-1,3-diamine?
N'-[7-[3-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-yl]propane-1,3-diamine has a molecular weight of 346.36 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[7-[3-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-yl]propane-1,3-diamine is sourced from PubChem (CID 10150032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).