2-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-6-cyclopropyl-7,8-dihydro-1,6-naphthyridin-5-one;2,2,2-trifluoroacetic acid

C17H19F4N3O4 — CID 155141632

IUPAC2-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-6-cyclopropyl-7,8-dihydro-1,6-naphthyridin-5-one;2,2,2-trifluoroacetic acid
SMILESNC/C(=C/F)COc1ccc2c(n1)CCN(C1CC1)C2=O.O=C(O)C(F)(F)F
InChIInChI=1S/C15H18FN3O2.C2HF3O2/c16-7-10(8-17)9-21-14-4-3-12-13(18-14)5-6-19(15(12)20)11-1-2-11;3-2(4,5)1(6)7/h3-4,7,11H,1-2,5-6,8-9,17H2;(H,6,7)/b10-7-;
InChIKeyNNYKQHXRTKJQIC-VEZAGKLZSA-N
MW405.35 g/mol
LogP2.07
Rot. Bonds5

About 2-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-6-cyclopropyl-7,8-dihydro-1,6-naphthyridin-5-one;2,2,2-trifluoroacetic acid

2-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-6-cyclopropyl-7,8-dihydro-1,6-naphthyridin-5-one;2,2,2-trifluoroacetic acid (PubChem CID 155141632) has the molecular formula C17H19F4N3O4 and a molecular weight of 405.35 g/mol. Its IUPAC name is 2-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-6-cyclopropyl-7,8-dihydro-1,6-naphthyridin-5-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-6-cyclopropyl-7,8-dihydro-1,6-naphthyridin-5-one;2,2,2-trifluoroacetic acid
PubChem CID155141632
Molecular FormulaC17H19F4N3O4
Molecular Weight405.35 g/mol
Exact Mass405.13
IUPAC Name2-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-6-cyclopropyl-7,8-dihydro-1,6-naphthyridin-5-one;2,2,2-trifluoroacetic acid
SMILESNC/C(=C/F)COc1ccc2c(n1)CCN(C1CC1)C2=O.O=C(O)C(F)(F)F
InChIInChI=1S/C15H18FN3O2.C2HF3O2/c16-7-10(8-17)9-21-14-4-3-12-13(18-14)5-6-19(15(12)20)11-1-2-11;3-2(4,5)1(6)7/h3-4,7,11H,1-2,5-6,8-9,17H2;(H,6,7)/b10-7-;
InChIKeyNNYKQHXRTKJQIC-VEZAGKLZSA-N
XLogP2.07
TPSA105.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-6-cyclopropyl-7,8-dihydro-1,6-naphthyridin-5-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-6-cyclopropyl-7,8-dihydro-1,6-naphthyridin-5-one;2,2,2-trifluoroacetic acid (CID 155141632) is 2-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-6-cyclopropyl-7,8-dihydro-1,6-naphthyridin-5-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-6-cyclopropyl-7,8-dihydro-1,6-naphthyridin-5-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-6-cyclopropyl-7,8-dihydro-1,6-naphthyridin-5-one;2,2,2-trifluoroacetic acid is NC/C(=C/F)COc1ccc2c(n1)CCN(C1CC1)C2=O.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-6-cyclopropyl-7,8-dihydro-1,6-naphthyridin-5-one;2,2,2-trifluoroacetic acid?
The InChIKey is NNYKQHXRTKJQIC-VEZAGKLZSA-N. The full InChI is InChI=1S/C15H18FN3O2.C2HF3O2/c16-7-10(8-17)9-21-14-4-3-12-13(18-14)5-6-19(15(12)20)11-1-2-11;3-2(4,5)1(6)7/h3-4,7,11H,1-2,5-6,8-9,17H2;(H,6,7)/b10-7-;.
What are the key properties of 2-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-6-cyclopropyl-7,8-dihydro-1,6-naphthyridin-5-one;2,2,2-trifluoroacetic acid?
2-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-6-cyclopropyl-7,8-dihydro-1,6-naphthyridin-5-one;2,2,2-trifluoroacetic acid has a molecular weight of 405.35 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-6-cyclopropyl-7,8-dihydro-1,6-naphthyridin-5-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155141632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).