1-N-butyl-5-fluoro-8-methoxy-2,7-naphthyridine-1,3-diamine

C13H17FN4O — CID 176639726

IUPAC1-N-butyl-5-fluoro-8-methoxy-2,7-naphthyridine-1,3-diamine
SMILESCCCCNc1nc(N)cc2c(F)cnc(OC)c12
InChIInChI=1S/C13H17FN4O/c1-3-4-5-16-12-11-8(6-10(15)18-12)9(14)7-17-13(11)19-2/h6-7H,3-5H2,1-2H3,(H3,15,16,18)
InChIKeyQIPWAQARRBRMHK-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.57
Rot. Bonds5

About 1-N-butyl-5-fluoro-8-methoxy-2,7-naphthyridine-1,3-diamine

1-N-butyl-5-fluoro-8-methoxy-2,7-naphthyridine-1,3-diamine (PubChem CID 176639726) has the molecular formula C13H17FN4O and a molecular weight of 264.30 g/mol. Its IUPAC name is 1-N-butyl-5-fluoro-8-methoxy-2,7-naphthyridine-1,3-diamine.

Molecular Properties

Compound Name1-N-butyl-5-fluoro-8-methoxy-2,7-naphthyridine-1,3-diamine
PubChem CID176639726
Molecular FormulaC13H17FN4O
Molecular Weight264.30 g/mol
Exact Mass264.14
IUPAC Name1-N-butyl-5-fluoro-8-methoxy-2,7-naphthyridine-1,3-diamine
SMILESCCCCNc1nc(N)cc2c(F)cnc(OC)c12
InChIInChI=1S/C13H17FN4O/c1-3-4-5-16-12-11-8(6-10(15)18-12)9(14)7-17-13(11)19-2/h6-7H,3-5H2,1-2H3,(H3,15,16,18)
InChIKeyQIPWAQARRBRMHK-UHFFFAOYSA-N
XLogP2.57
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 1-N-butyl-5-fluoro-8-methoxy-2,7-naphthyridine-1,3-diamine?
The IUPAC name of 1-N-butyl-5-fluoro-8-methoxy-2,7-naphthyridine-1,3-diamine (CID 176639726) is 1-N-butyl-5-fluoro-8-methoxy-2,7-naphthyridine-1,3-diamine.
What is the SMILES notation for 1-N-butyl-5-fluoro-8-methoxy-2,7-naphthyridine-1,3-diamine?
The canonical SMILES for 1-N-butyl-5-fluoro-8-methoxy-2,7-naphthyridine-1,3-diamine is CCCCNc1nc(N)cc2c(F)cnc(OC)c12.
What is the InChIKey of 1-N-butyl-5-fluoro-8-methoxy-2,7-naphthyridine-1,3-diamine?
The InChIKey is QIPWAQARRBRMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O/c1-3-4-5-16-12-11-8(6-10(15)18-12)9(14)7-17-13(11)19-2/h6-7H,3-5H2,1-2H3,(H3,15,16,18).
What are the key properties of 1-N-butyl-5-fluoro-8-methoxy-2,7-naphthyridine-1,3-diamine?
1-N-butyl-5-fluoro-8-methoxy-2,7-naphthyridine-1,3-diamine has a molecular weight of 264.30 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butyl-5-fluoro-8-methoxy-2,7-naphthyridine-1,3-diamine is sourced from PubChem (CID 176639726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).