(4-amino-3-fluorophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone

C15H14FN3O — CID 63188563

IUPAC(4-amino-3-fluorophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
SMILESNc1ccc(C(=O)N2CCc3ncccc3C2)cc1F
InChIInChI=1S/C15H14FN3O/c16-12-8-10(3-4-13(12)17)15(20)19-7-5-14-11(9-19)2-1-6-18-14/h1-4,6,8H,5,7,9,17H2
InChIKeyXOQUMPFGCPUZOA-UHFFFAOYSA-N
MW271.30 g/mol
LogP2.00
Rot. Bonds1

About (4-amino-3-fluorophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone

(4-amino-3-fluorophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone (PubChem CID 63188563) has the molecular formula C15H14FN3O and a molecular weight of 271.30 g/mol. Its IUPAC name is (4-amino-3-fluorophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-fluorophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
PubChem CID63188563
Molecular FormulaC15H14FN3O
Molecular Weight271.30 g/mol
Exact Mass271.11
IUPAC Name(4-amino-3-fluorophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
SMILESNc1ccc(C(=O)N2CCc3ncccc3C2)cc1F
InChIInChI=1S/C15H14FN3O/c16-12-8-10(3-4-13(12)17)15(20)19-7-5-14-11(9-19)2-1-6-18-14/h1-4,6,8H,5,7,9,17H2
InChIKeyXOQUMPFGCPUZOA-UHFFFAOYSA-N
XLogP2.00
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7,8-dihydro-5H-1,6-naphthyridin-6-yl-(4-fluoro-3-methylphenyl)methanone
CID 63213138
(3-amino-2-pyridinyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 104741429
[4-(aminomethyl)phenyl]-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 60861567
5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-(3-fluoro-4-methylphenyl)methanone
CID 121191086
(4-bromo-3-chlorophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 81307787
7,8-dihydro-5H-1,6-naphthyridin-6-yl(1H-indazol-5-yl)methanone
CID 166197233
(2,6-dichloro-4-pyridinyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 61053714
7,8-dihydro-5H-1,6-naphthyridin-6-yl-(4-methyl-3-pyridin-2-ylphenyl)methanone
CID 70840492
7,8-dihydro-5H-1,6-naphthyridin-6-yl-(5-iodothiophen-3-yl)methanone
CID 79694045
(2-bromo-6-fluorophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 115752999
7,8-dihydro-5H-1,6-naphthyridin-6-yl-(6-fluoro-2-pyridinyl)methanone
CID 113323469
(2-chloro-3-pyridinyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 61053366

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-fluorophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone?
The IUPAC name of (4-amino-3-fluorophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone (CID 63188563) is (4-amino-3-fluorophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone.
What is the SMILES notation for (4-amino-3-fluorophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone?
The canonical SMILES for (4-amino-3-fluorophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone is Nc1ccc(C(=O)N2CCc3ncccc3C2)cc1F.
What is the InChIKey of (4-amino-3-fluorophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone?
The InChIKey is XOQUMPFGCPUZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O/c16-12-8-10(3-4-13(12)17)15(20)19-7-5-14-11(9-19)2-1-6-18-14/h1-4,6,8H,5,7,9,17H2.
What are the key properties of (4-amino-3-fluorophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone?
(4-amino-3-fluorophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone has a molecular weight of 271.30 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-fluorophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone is sourced from PubChem (CID 63188563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).