N-(3,4-dichlorophenyl)-6-fluoro-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide

C15H12Cl2FN3O — CID 162376975

IUPACN-(3,4-dichlorophenyl)-6-fluoro-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)N1CCc2cc(F)ncc2C1
InChIInChI=1S/C15H12Cl2FN3O/c16-12-2-1-11(6-13(12)17)20-15(22)21-4-3-9-5-14(18)19-7-10(9)8-21/h1-2,5-7H,3-4,8H2,(H,20,22)
InChIKeyUAMRZXZOGKPFKT-UHFFFAOYSA-N
MW340.19 g/mol
LogP4.12
Rot. Bonds1

About N-(3,4-dichlorophenyl)-6-fluoro-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide

N-(3,4-dichlorophenyl)-6-fluoro-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide (PubChem CID 162376975) has the molecular formula C15H12Cl2FN3O and a molecular weight of 340.19 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-6-fluoro-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-6-fluoro-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
PubChem CID162376975
Molecular FormulaC15H12Cl2FN3O
Molecular Weight340.19 g/mol
Exact Mass339.03
IUPAC NameN-(3,4-dichlorophenyl)-6-fluoro-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)N1CCc2cc(F)ncc2C1
InChIInChI=1S/C15H12Cl2FN3O/c16-12-2-1-11(6-13(12)17)20-15(22)21-4-3-9-5-14(18)19-7-10(9)8-21/h1-2,5-7H,3-4,8H2,(H,20,22)
InChIKeyUAMRZXZOGKPFKT-UHFFFAOYSA-N
XLogP4.12
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.19
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dichlorophenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 162377008
N-(3,4-dichlorophenyl)-8,9-dihydro-6H-imidazo[1,2-b][2,7]naphthyridine-7-carboxamide
CID 162376907
N-[4-chloro-3-(trifluoromethyl)phenyl]-6-fluoro-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 162376952
N-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 53147188
N-(4-acetyl-3-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 20716372
N-(3-chloro-4-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 53145264
N-(3-carbamoyl-4-fluorophenyl)-7-chloro-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 75434933
N-(3-chloro-4-methylphenyl)-7-oxo-1,3,4,6-tetrahydro-2,6-naphthyridine-2-carboxamide
CID 162376955
N-(3,4-dichlorophenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
CID 11754733
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 60600808
N-(4-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 846926
(3S,5S)-N-(3,4-dichlorophenyl)-3,5-dimethylpiperidine-1-carboxamide
CID 840585

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-6-fluoro-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-6-fluoro-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide (CID 162376975) is N-(3,4-dichlorophenyl)-6-fluoro-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-6-fluoro-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-6-fluoro-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)N1CCc2cc(F)ncc2C1.
What is the InChIKey of N-(3,4-dichlorophenyl)-6-fluoro-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?
The InChIKey is UAMRZXZOGKPFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2FN3O/c16-12-2-1-11(6-13(12)17)20-15(22)21-4-3-9-5-14(18)19-7-10(9)8-21/h1-2,5-7H,3-4,8H2,(H,20,22).
What are the key properties of N-(3,4-dichlorophenyl)-6-fluoro-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?
N-(3,4-dichlorophenyl)-6-fluoro-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide has a molecular weight of 340.19 g/mol, XLogP of 4.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-6-fluoro-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide is sourced from PubChem (CID 162376975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).