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

C15H18FN3O2 — CID 138670004

IUPAC2-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-6-cyclopropyl-7,8-dihydro-1,6-naphthyridin-5-one
SMILESNC/C(=C/F)COc1ccc2c(n1)CCN(C1CC1)C2=O
InChIInChI=1S/C15H18FN3O2/c16-7-10(8-17)9-21-14-4-3-12-13(18-14)5-6-19(15(12)20)11-1-2-11/h3-4,7,11H,1-2,5-6,8-9,17H2/b10-7-
InChIKeyKYYHYTURXVIFHK-YFHOEESVSA-N
MW291.33 g/mol
LogP1.43
Rot. Bonds5

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

2-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-6-cyclopropyl-7,8-dihydro-1,6-naphthyridin-5-one (PubChem CID 138670004) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 2-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-6-cyclopropyl-7,8-dihydro-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name2-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-6-cyclopropyl-7,8-dihydro-1,6-naphthyridin-5-one
PubChem CID138670004
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name2-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-6-cyclopropyl-7,8-dihydro-1,6-naphthyridin-5-one
SMILESNC/C(=C/F)COc1ccc2c(n1)CCN(C1CC1)C2=O
InChIInChI=1S/C15H18FN3O2/c16-7-10(8-17)9-21-14-4-3-12-13(18-14)5-6-19(15(12)20)11-1-2-11/h3-4,7,11H,1-2,5-6,8-9,17H2/b10-7-
InChIKeyKYYHYTURXVIFHK-YFHOEESVSA-N
XLogP1.43
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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?
The IUPAC name of 2-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-6-cyclopropyl-7,8-dihydro-1,6-naphthyridin-5-one (CID 138670004) is 2-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-6-cyclopropyl-7,8-dihydro-1,6-naphthyridin-5-one.
What is the SMILES notation for 2-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-6-cyclopropyl-7,8-dihydro-1,6-naphthyridin-5-one?
The canonical SMILES for 2-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-6-cyclopropyl-7,8-dihydro-1,6-naphthyridin-5-one is NC/C(=C/F)COc1ccc2c(n1)CCN(C1CC1)C2=O.
What is the InChIKey of 2-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-6-cyclopropyl-7,8-dihydro-1,6-naphthyridin-5-one?
The InChIKey is KYYHYTURXVIFHK-YFHOEESVSA-N. The full InChI is InChI=1S/C15H18FN3O2/c16-7-10(8-17)9-21-14-4-3-12-13(18-14)5-6-19(15(12)20)11-1-2-11/h3-4,7,11H,1-2,5-6,8-9,17H2/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-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-6-cyclopropyl-7,8-dihydro-1,6-naphthyridin-5-one has a molecular weight of 291.33 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 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 is sourced from PubChem (CID 138670004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).