2-(4-bromophenyl)-N-(oxan-2-yloxy)-1,6-naphthyridine-4-carboxamide

C20H18BrN3O3 — CID 90316314

IUPAC2-(4-bromophenyl)-N-(oxan-2-yloxy)-1,6-naphthyridine-4-carboxamide
SMILESO=C(NOC1CCCCO1)c1cc(-c2ccc(Br)cc2)nc2ccncc12
InChIInChI=1S/C20H18BrN3O3/c21-14-6-4-13(5-7-14)18-11-15(16-12-22-9-8-17(16)23-18)20(25)24-27-19-3-1-2-10-26-19/h4-9,11-12,19H,1-3,10H2,(H,24,25)
InChIKeyACDMVHCWYDXPCK-UHFFFAOYSA-N
MW428.29 g/mol
LogP4.25
Rot. Bonds4

About 2-(4-bromophenyl)-N-(oxan-2-yloxy)-1,6-naphthyridine-4-carboxamide

2-(4-bromophenyl)-N-(oxan-2-yloxy)-1,6-naphthyridine-4-carboxamide (PubChem CID 90316314) has the molecular formula C20H18BrN3O3 and a molecular weight of 428.29 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(oxan-2-yloxy)-1,6-naphthyridine-4-carboxamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(oxan-2-yloxy)-1,6-naphthyridine-4-carboxamide
PubChem CID90316314
Molecular FormulaC20H18BrN3O3
Molecular Weight428.29 g/mol
Exact Mass427.05
IUPAC Name2-(4-bromophenyl)-N-(oxan-2-yloxy)-1,6-naphthyridine-4-carboxamide
SMILESO=C(NOC1CCCCO1)c1cc(-c2ccc(Br)cc2)nc2ccncc12
InChIInChI=1S/C20H18BrN3O3/c21-14-6-4-13(5-7-14)18-11-15(16-12-22-9-8-17(16)23-18)20(25)24-27-19-3-1-2-10-26-19/h4-9,11-12,19H,1-3,10H2,(H,24,25)
InChIKeyACDMVHCWYDXPCK-UHFFFAOYSA-N
XLogP4.25
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.29
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(oxan-2-yloxy)-1,6-naphthyridine-4-carboxamide?
The IUPAC name of 2-(4-bromophenyl)-N-(oxan-2-yloxy)-1,6-naphthyridine-4-carboxamide (CID 90316314) is 2-(4-bromophenyl)-N-(oxan-2-yloxy)-1,6-naphthyridine-4-carboxamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(oxan-2-yloxy)-1,6-naphthyridine-4-carboxamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(oxan-2-yloxy)-1,6-naphthyridine-4-carboxamide is O=C(NOC1CCCCO1)c1cc(-c2ccc(Br)cc2)nc2ccncc12.
What is the InChIKey of 2-(4-bromophenyl)-N-(oxan-2-yloxy)-1,6-naphthyridine-4-carboxamide?
The InChIKey is ACDMVHCWYDXPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O3/c21-14-6-4-13(5-7-14)18-11-15(16-12-22-9-8-17(16)23-18)20(25)24-27-19-3-1-2-10-26-19/h4-9,11-12,19H,1-3,10H2,(H,24,25).
What are the key properties of 2-(4-bromophenyl)-N-(oxan-2-yloxy)-1,6-naphthyridine-4-carboxamide?
2-(4-bromophenyl)-N-(oxan-2-yloxy)-1,6-naphthyridine-4-carboxamide has a molecular weight of 428.29 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(oxan-2-yloxy)-1,6-naphthyridine-4-carboxamide is sourced from PubChem (CID 90316314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).