5-bromo-8-hydroxy-N-[2-(3-methoxyphenyl)propan-2-yl]-1,6-naphthyridine-7-carboxamide

C19H18BrN3O3 — CID 89291052

IUPAC5-bromo-8-hydroxy-N-[2-(3-methoxyphenyl)propan-2-yl]-1,6-naphthyridine-7-carboxamide
SMILESCOc1cccc(C(C)(C)NC(=O)c2nc(Br)c3cccnc3c2O)c1
InChIInChI=1S/C19H18BrN3O3/c1-19(2,11-6-4-7-12(10-11)26-3)23-18(25)15-16(24)14-13(17(20)22-15)8-5-9-21-14/h4-10,24H,1-3H3,(H,23,25)
InChIKeyRPCYASPYKGJTRL-UHFFFAOYSA-N
MW416.28 g/mol
LogP3.77
Rot. Bonds4

About 5-bromo-8-hydroxy-N-[2-(3-methoxyphenyl)propan-2-yl]-1,6-naphthyridine-7-carboxamide

5-bromo-8-hydroxy-N-[2-(3-methoxyphenyl)propan-2-yl]-1,6-naphthyridine-7-carboxamide (PubChem CID 89291052) has the molecular formula C19H18BrN3O3 and a molecular weight of 416.28 g/mol. Its IUPAC name is 5-bromo-8-hydroxy-N-[2-(3-methoxyphenyl)propan-2-yl]-1,6-naphthyridine-7-carboxamide.

Molecular Properties

Compound Name5-bromo-8-hydroxy-N-[2-(3-methoxyphenyl)propan-2-yl]-1,6-naphthyridine-7-carboxamide
PubChem CID89291052
Molecular FormulaC19H18BrN3O3
Molecular Weight416.28 g/mol
Exact Mass415.05
IUPAC Name5-bromo-8-hydroxy-N-[2-(3-methoxyphenyl)propan-2-yl]-1,6-naphthyridine-7-carboxamide
SMILESCOc1cccc(C(C)(C)NC(=O)c2nc(Br)c3cccnc3c2O)c1
InChIInChI=1S/C19H18BrN3O3/c1-19(2,11-6-4-7-12(10-11)26-3)23-18(25)15-16(24)14-13(17(20)22-15)8-5-9-21-14/h4-10,24H,1-3H3,(H,23,25)
InChIKeyRPCYASPYKGJTRL-UHFFFAOYSA-N
XLogP3.77
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.28
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-hydroxy-N-[2-(3-methoxyphenyl)propan-2-yl]-5-[methyl(propylsulfonyl)amino]-1,6-naphthyridine-7-carboxamide
CID 59854219
8-hydroxy-N-[2-(3-methoxyphenyl)propan-2-yl]-5-[methyl(propylsulfonyl)amino]-1,6-naphthyridine-7-carboxamide;[7-[2-(3-methoxyphenyl)propan-2-ylcarbamoyl]-5-(propylsulfonylamino)-1,6-naphthyridin-8-yl] benzoate
CID 90711305
N-[2-(4-methoxyphenyl)propan-2-yl]pyridine-3-carboxamide
CID 110442879
N-[(S)-(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]-3-methoxybenzamide
CID 7030471
N-[2-(4-methoxyphenyl)propan-2-yl]pyridine-4-carboxamide
CID 110444865
N-tert-butyl-3-hydroxypyridine-2-carboxamide
CID 3020808
1-[(3-methoxyphenyl)methyl]-3-[2-[3-[2-[(3-methoxyphenyl)methylcarbamoylamino]propan-2-yl]phenyl]propan-2-yl]urea
CID 27060588
5-bromo-7-[[(4-methoxyphenyl)methylamino]methyl]quinolin-8-ol
CID 131987078
N-[(S)-(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-3-methoxybenzamide
CID 2259138
methyl 7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxy-1,6-naphthyridine-5-carboxylate
CID 141443978
ethane;8-hydroxy-7-methoxycarbonyl-1,6-naphthyridine-5-carboxylic acid
CID 142808011
1-(3-methoxyphenyl)-3-[2-(4-methoxyphenyl)propan-2-yl]urea
CID 113216514

Frequently Asked Questions

What is the IUPAC name of 5-bromo-8-hydroxy-N-[2-(3-methoxyphenyl)propan-2-yl]-1,6-naphthyridine-7-carboxamide?
The IUPAC name of 5-bromo-8-hydroxy-N-[2-(3-methoxyphenyl)propan-2-yl]-1,6-naphthyridine-7-carboxamide (CID 89291052) is 5-bromo-8-hydroxy-N-[2-(3-methoxyphenyl)propan-2-yl]-1,6-naphthyridine-7-carboxamide.
What is the SMILES notation for 5-bromo-8-hydroxy-N-[2-(3-methoxyphenyl)propan-2-yl]-1,6-naphthyridine-7-carboxamide?
The canonical SMILES for 5-bromo-8-hydroxy-N-[2-(3-methoxyphenyl)propan-2-yl]-1,6-naphthyridine-7-carboxamide is COc1cccc(C(C)(C)NC(=O)c2nc(Br)c3cccnc3c2O)c1.
What is the InChIKey of 5-bromo-8-hydroxy-N-[2-(3-methoxyphenyl)propan-2-yl]-1,6-naphthyridine-7-carboxamide?
The InChIKey is RPCYASPYKGJTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O3/c1-19(2,11-6-4-7-12(10-11)26-3)23-18(25)15-16(24)14-13(17(20)22-15)8-5-9-21-14/h4-10,24H,1-3H3,(H,23,25).
What are the key properties of 5-bromo-8-hydroxy-N-[2-(3-methoxyphenyl)propan-2-yl]-1,6-naphthyridine-7-carboxamide?
5-bromo-8-hydroxy-N-[2-(3-methoxyphenyl)propan-2-yl]-1,6-naphthyridine-7-carboxamide has a molecular weight of 416.28 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-8-hydroxy-N-[2-(3-methoxyphenyl)propan-2-yl]-1,6-naphthyridine-7-carboxamide is sourced from PubChem (CID 89291052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).