N-[(2-fluorophenyl)methyl]-1,8-naphthyridine-2-carboxamide

C16H12FN3O — CID 16728138

IUPACN-[(2-fluorophenyl)methyl]-1,8-naphthyridine-2-carboxamide
SMILESO=C(NCc1ccccc1F)c1ccc2cccnc2n1
InChIInChI=1S/C16H12FN3O/c17-13-6-2-1-4-12(13)10-19-16(21)14-8-7-11-5-3-9-18-15(11)20-14/h1-9H,10H2,(H,19,21)
InChIKeyQEMKDZXVHKKVDL-UHFFFAOYSA-N
MW281.29 g/mol
LogP2.70
Rot. Bonds3

About N-[(2-fluorophenyl)methyl]-1,8-naphthyridine-2-carboxamide

N-[(2-fluorophenyl)methyl]-1,8-naphthyridine-2-carboxamide (PubChem CID 16728138) has the molecular formula C16H12FN3O and a molecular weight of 281.29 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-1,8-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-1,8-naphthyridine-2-carboxamide
PubChem CID16728138
Molecular FormulaC16H12FN3O
Molecular Weight281.29 g/mol
Exact Mass281.10
IUPAC NameN-[(2-fluorophenyl)methyl]-1,8-naphthyridine-2-carboxamide
SMILESO=C(NCc1ccccc1F)c1ccc2cccnc2n1
InChIInChI=1S/C16H12FN3O/c17-13-6-2-1-4-12(13)10-19-16(21)14-8-7-11-5-3-9-18-15(11)20-14/h1-9H,10H2,(H,19,21)
InChIKeyQEMKDZXVHKKVDL-UHFFFAOYSA-N
XLogP2.70
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 115496596
N-[(2-fluorophenyl)methyl]-2-hydrazinylpyridine-3-carboxamide
CID 62247960
N-[(2-fluorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 110689474
N-[(2-fluorophenyl)methyl]-5-methylpyrazine-2-carboxamide
CID 8870889
2-(3-chloro-4-fluoroanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109305444
5-(ethylamino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 104639989
N-[(2-fluorophenyl)methyl]-4-hydrazinylpyridine-2-carboxamide
CID 62247959
N-[(2-fluorophenyl)methyl]-6-hydrazinylpyridazine-3-carboxamide
CID 62248326
N-[(2-fluorophenyl)methyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109305403
N-[(2-fluorophenyl)methyl]pyrido[2,3-b]pyrazine-7-carboxamide
CID 110851225
N-[(2-fluorophenyl)methyl]-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189342
N-[(2-fluorophenyl)methyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109094778

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-1,8-naphthyridine-2-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-1,8-naphthyridine-2-carboxamide (CID 16728138) is N-[(2-fluorophenyl)methyl]-1,8-naphthyridine-2-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-1,8-naphthyridine-2-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-1,8-naphthyridine-2-carboxamide is O=C(NCc1ccccc1F)c1ccc2cccnc2n1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-1,8-naphthyridine-2-carboxamide?
The InChIKey is QEMKDZXVHKKVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O/c17-13-6-2-1-4-12(13)10-19-16(21)14-8-7-11-5-3-9-18-15(11)20-14/h1-9H,10H2,(H,19,21).
What are the key properties of N-[(2-fluorophenyl)methyl]-1,8-naphthyridine-2-carboxamide?
N-[(2-fluorophenyl)methyl]-1,8-naphthyridine-2-carboxamide has a molecular weight of 281.29 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-1,8-naphthyridine-2-carboxamide is sourced from PubChem (CID 16728138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).