N-(4-bromo-5-chloro-2-fluorophenyl)-6-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carboxamide

C15H12BrClFN3O2 — CID 169209010

IUPACN-(4-bromo-5-chloro-2-fluorophenyl)-6-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carboxamide
SMILESO=C(Nc1cc(Cl)c(Br)cc1F)N1CCc2cc(=O)[nH]cc2C1
InChIInChI=1S/C15H12BrClFN3O2/c16-10-4-12(18)13(5-11(10)17)20-15(23)21-2-1-8-3-14(22)19-6-9(8)7-21/h3-6H,1-2,7H2,(H,19,22)(H,20,23)
InChIKeyCNZPDMCMYZCMCS-UHFFFAOYSA-N
MW400.64 g/mol
LogP3.52
Rot. Bonds1

About N-(4-bromo-5-chloro-2-fluorophenyl)-6-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carboxamide

N-(4-bromo-5-chloro-2-fluorophenyl)-6-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carboxamide (PubChem CID 169209010) has the molecular formula C15H12BrClFN3O2 and a molecular weight of 400.64 g/mol. Its IUPAC name is N-(4-bromo-5-chloro-2-fluorophenyl)-6-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-5-chloro-2-fluorophenyl)-6-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carboxamide
PubChem CID169209010
Molecular FormulaC15H12BrClFN3O2
Molecular Weight400.64 g/mol
Exact Mass398.98
IUPAC NameN-(4-bromo-5-chloro-2-fluorophenyl)-6-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carboxamide
SMILESO=C(Nc1cc(Cl)c(Br)cc1F)N1CCc2cc(=O)[nH]cc2C1
InChIInChI=1S/C15H12BrClFN3O2/c16-10-4-12(18)13(5-11(10)17)20-15(23)21-2-1-8-3-14(22)19-6-9(8)7-21/h3-6H,1-2,7H2,(H,19,22)(H,20,23)
InChIKeyCNZPDMCMYZCMCS-UHFFFAOYSA-N
XLogP3.52
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.64
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-5-chloro-2-fluorophenyl)-6-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carboxamide?
The IUPAC name of N-(4-bromo-5-chloro-2-fluorophenyl)-6-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carboxamide (CID 169209010) is N-(4-bromo-5-chloro-2-fluorophenyl)-6-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carboxamide.
What is the SMILES notation for N-(4-bromo-5-chloro-2-fluorophenyl)-6-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carboxamide?
The canonical SMILES for N-(4-bromo-5-chloro-2-fluorophenyl)-6-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carboxamide is O=C(Nc1cc(Cl)c(Br)cc1F)N1CCc2cc(=O)[nH]cc2C1.
What is the InChIKey of N-(4-bromo-5-chloro-2-fluorophenyl)-6-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carboxamide?
The InChIKey is CNZPDMCMYZCMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClFN3O2/c16-10-4-12(18)13(5-11(10)17)20-15(23)21-2-1-8-3-14(22)19-6-9(8)7-21/h3-6H,1-2,7H2,(H,19,22)(H,20,23).
What are the key properties of N-(4-bromo-5-chloro-2-fluorophenyl)-6-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carboxamide?
N-(4-bromo-5-chloro-2-fluorophenyl)-6-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carboxamide has a molecular weight of 400.64 g/mol, XLogP of 3.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-5-chloro-2-fluorophenyl)-6-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carboxamide is sourced from PubChem (CID 169209010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).