8-(4-fluorophenyl)-3-methyl-1,6-naphthyridine-2-carboxamide

C16H12FN3O — CID 75202887

IUPAC8-(4-fluorophenyl)-3-methyl-1,6-naphthyridine-2-carboxamide
SMILESCc1cc2cncc(-c3ccc(F)cc3)c2nc1C(N)=O
InChIInChI=1S/C16H12FN3O/c1-9-6-11-7-19-8-13(10-2-4-12(17)5-3-10)15(11)20-14(9)16(18)21/h2-8H,1H3,(H2,18,21)
InChIKeyDDYIBWCYYJBAPL-UHFFFAOYSA-N
MW281.29 g/mol
LogP2.84
Rot. Bonds2

About 8-(4-fluorophenyl)-3-methyl-1,6-naphthyridine-2-carboxamide

8-(4-fluorophenyl)-3-methyl-1,6-naphthyridine-2-carboxamide (PubChem CID 75202887) has the molecular formula C16H12FN3O and a molecular weight of 281.29 g/mol. Its IUPAC name is 8-(4-fluorophenyl)-3-methyl-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name8-(4-fluorophenyl)-3-methyl-1,6-naphthyridine-2-carboxamide
PubChem CID75202887
Molecular FormulaC16H12FN3O
Molecular Weight281.29 g/mol
Exact Mass281.10
IUPAC Name8-(4-fluorophenyl)-3-methyl-1,6-naphthyridine-2-carboxamide
SMILESCc1cc2cncc(-c3ccc(F)cc3)c2nc1C(N)=O
InChIInChI=1S/C16H12FN3O/c1-9-6-11-7-19-8-13(10-2-4-12(17)5-3-10)15(11)20-14(9)16(18)21/h2-8H,1H3,(H2,18,21)
InChIKeyDDYIBWCYYJBAPL-UHFFFAOYSA-N
XLogP2.84
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(4-fluorophenyl)-3-methyl-1,6-naphthyridine-2-carboxamide?
The IUPAC name of 8-(4-fluorophenyl)-3-methyl-1,6-naphthyridine-2-carboxamide (CID 75202887) is 8-(4-fluorophenyl)-3-methyl-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for 8-(4-fluorophenyl)-3-methyl-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for 8-(4-fluorophenyl)-3-methyl-1,6-naphthyridine-2-carboxamide is Cc1cc2cncc(-c3ccc(F)cc3)c2nc1C(N)=O.
What is the InChIKey of 8-(4-fluorophenyl)-3-methyl-1,6-naphthyridine-2-carboxamide?
The InChIKey is DDYIBWCYYJBAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O/c1-9-6-11-7-19-8-13(10-2-4-12(17)5-3-10)15(11)20-14(9)16(18)21/h2-8H,1H3,(H2,18,21).
What are the key properties of 8-(4-fluorophenyl)-3-methyl-1,6-naphthyridine-2-carboxamide?
8-(4-fluorophenyl)-3-methyl-1,6-naphthyridine-2-carboxamide has a molecular weight of 281.29 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluorophenyl)-3-methyl-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 75202887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).