N-[(Z)-3-fluoro-2-prop-1-en-2-ylbut-2-enyl]-6-methoxy-2,7-naphthyridin-1-amine

C16H18FN3O — CID 155715175

IUPACN-[(Z)-3-fluoro-2-prop-1-en-2-ylbut-2-enyl]-6-methoxy-2,7-naphthyridin-1-amine
SMILESC=C(C)/C(CNc1nccc2cc(OC)ncc12)=C(\C)F
InChIInChI=1S/C16H18FN3O/c1-10(2)13(11(3)17)8-20-16-14-9-19-15(21-4)7-12(14)5-6-18-16/h5-7,9H,1,8H2,2-4H3,(H,18,20)/b13-11+
InChIKeyGRODTXABJBNUJU-ACCUITESSA-N
MW287.34 g/mol
LogP3.87
Rot. Bonds5

About N-[(Z)-3-fluoro-2-prop-1-en-2-ylbut-2-enyl]-6-methoxy-2,7-naphthyridin-1-amine

N-[(Z)-3-fluoro-2-prop-1-en-2-ylbut-2-enyl]-6-methoxy-2,7-naphthyridin-1-amine (PubChem CID 155715175) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is N-[(Z)-3-fluoro-2-prop-1-en-2-ylbut-2-enyl]-6-methoxy-2,7-naphthyridin-1-amine.

Molecular Properties

Compound NameN-[(Z)-3-fluoro-2-prop-1-en-2-ylbut-2-enyl]-6-methoxy-2,7-naphthyridin-1-amine
PubChem CID155715175
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC NameN-[(Z)-3-fluoro-2-prop-1-en-2-ylbut-2-enyl]-6-methoxy-2,7-naphthyridin-1-amine
SMILESC=C(C)/C(CNc1nccc2cc(OC)ncc12)=C(\C)F
InChIInChI=1S/C16H18FN3O/c1-10(2)13(11(3)17)8-20-16-14-9-19-15(21-4)7-12(14)5-6-18-16/h5-7,9H,1,8H2,2-4H3,(H,18,20)/b13-11+
InChIKeyGRODTXABJBNUJU-ACCUITESSA-N
XLogP3.87
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-fluoro-2-prop-1-en-2-ylbut-2-enyl]-6-methoxy-2,7-naphthyridin-1-amine?
The IUPAC name of N-[(Z)-3-fluoro-2-prop-1-en-2-ylbut-2-enyl]-6-methoxy-2,7-naphthyridin-1-amine (CID 155715175) is N-[(Z)-3-fluoro-2-prop-1-en-2-ylbut-2-enyl]-6-methoxy-2,7-naphthyridin-1-amine.
What is the SMILES notation for N-[(Z)-3-fluoro-2-prop-1-en-2-ylbut-2-enyl]-6-methoxy-2,7-naphthyridin-1-amine?
The canonical SMILES for N-[(Z)-3-fluoro-2-prop-1-en-2-ylbut-2-enyl]-6-methoxy-2,7-naphthyridin-1-amine is C=C(C)/C(CNc1nccc2cc(OC)ncc12)=C(\C)F.
What is the InChIKey of N-[(Z)-3-fluoro-2-prop-1-en-2-ylbut-2-enyl]-6-methoxy-2,7-naphthyridin-1-amine?
The InChIKey is GRODTXABJBNUJU-ACCUITESSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-10(2)13(11(3)17)8-20-16-14-9-19-15(21-4)7-12(14)5-6-18-16/h5-7,9H,1,8H2,2-4H3,(H,18,20)/b13-11+.
What are the key properties of N-[(Z)-3-fluoro-2-prop-1-en-2-ylbut-2-enyl]-6-methoxy-2,7-naphthyridin-1-amine?
N-[(Z)-3-fluoro-2-prop-1-en-2-ylbut-2-enyl]-6-methoxy-2,7-naphthyridin-1-amine has a molecular weight of 287.34 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-fluoro-2-prop-1-en-2-ylbut-2-enyl]-6-methoxy-2,7-naphthyridin-1-amine is sourced from PubChem (CID 155715175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).