4-bromo-N-(5-bromo-2-pyridinyl)-3-methoxynaphthalene-2-carboxamide

C17H12Br2N2O2 — CID 3654451

IUPAC4-bromo-N-(5-bromo-2-pyridinyl)-3-methoxynaphthalene-2-carboxamide
SMILESCOc1c(C(=O)Nc2ccc(Br)cn2)cc2ccccc2c1Br
InChIInChI=1S/C17H12Br2N2O2/c1-23-16-13(8-10-4-2-3-5-12(10)15(16)19)17(22)21-14-7-6-11(18)9-20-14/h2-9H,1H3,(H,20,21,22)
InChIKeyYIKZQLUKFQMSHY-UHFFFAOYSA-N
MW436.10 g/mol
LogP5.02
Rot. Bonds3

About 4-bromo-N-(5-bromo-2-pyridinyl)-3-methoxynaphthalene-2-carboxamide

4-bromo-N-(5-bromo-2-pyridinyl)-3-methoxynaphthalene-2-carboxamide (PubChem CID 3654451) has the molecular formula C17H12Br2N2O2 and a molecular weight of 436.10 g/mol. Its IUPAC name is 4-bromo-N-(5-bromo-2-pyridinyl)-3-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(5-bromo-2-pyridinyl)-3-methoxynaphthalene-2-carboxamide
PubChem CID3654451
Molecular FormulaC17H12Br2N2O2
Molecular Weight436.10 g/mol
Exact Mass433.93
IUPAC Name4-bromo-N-(5-bromo-2-pyridinyl)-3-methoxynaphthalene-2-carboxamide
SMILESCOc1c(C(=O)Nc2ccc(Br)cn2)cc2ccccc2c1Br
InChIInChI=1S/C17H12Br2N2O2/c1-23-16-13(8-10-4-2-3-5-12(10)15(16)19)17(22)21-14-7-6-11(18)9-20-14/h2-9H,1H3,(H,20,21,22)
InChIKeyYIKZQLUKFQMSHY-UHFFFAOYSA-N
XLogP5.02
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.10
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-pyridinyl)-2,3-dimethoxybenzamide
CID 23931504
methyl 4-[(4-bromo-3-methoxynaphthalene-2-carbonyl)amino]benzoate
CID 1258829
4-bromo-3-methoxy-N-(2,4,5-trichlorophenyl)naphthalene-2-carboxamide
CID 17111249
4-bromo-N-(2,4-dimethoxyphenyl)-3-methoxynaphthalene-2-carboxamide
CID 2235743
4-bromo-3-methoxy-N-(2-methyl-1,3-dioxoisoindol-5-yl)naphthalene-2-carboxamide
CID 2237139
3-[(4-bromo-3-methoxynaphthalene-2-carbonyl)amino]-4-methoxybenzoic acid
CID 28668842
N-(5-bromo-2-pyridinyl)-4-methoxy-2,3-dimethylbenzamide
CID 115274006
4-bromo-N-[(3,5-dibromo-4-hydroxyphenyl)carbamothioyl]-3-methoxynaphthalene-2-carboxamide
CID 17316037
N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-bromo-3-methoxynaphthalene-2-carboxamide
CID 17116598
4-bromo-N-(9H-fluoren-2-yl)-3-methoxynaphthalene-2-carboxamide
CID 17111494
2-amino-N-(5-bromo-2-pyridinyl)benzamide
CID 13348356
2-[(4-bromo-3-methoxynaphthalene-2-carbonyl)carbamothioylamino]benzoic acid
CID 17103881

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5-bromo-2-pyridinyl)-3-methoxynaphthalene-2-carboxamide?
The IUPAC name of 4-bromo-N-(5-bromo-2-pyridinyl)-3-methoxynaphthalene-2-carboxamide (CID 3654451) is 4-bromo-N-(5-bromo-2-pyridinyl)-3-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(5-bromo-2-pyridinyl)-3-methoxynaphthalene-2-carboxamide?
The canonical SMILES for 4-bromo-N-(5-bromo-2-pyridinyl)-3-methoxynaphthalene-2-carboxamide is COc1c(C(=O)Nc2ccc(Br)cn2)cc2ccccc2c1Br.
What is the InChIKey of 4-bromo-N-(5-bromo-2-pyridinyl)-3-methoxynaphthalene-2-carboxamide?
The InChIKey is YIKZQLUKFQMSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Br2N2O2/c1-23-16-13(8-10-4-2-3-5-12(10)15(16)19)17(22)21-14-7-6-11(18)9-20-14/h2-9H,1H3,(H,20,21,22).
What are the key properties of 4-bromo-N-(5-bromo-2-pyridinyl)-3-methoxynaphthalene-2-carboxamide?
4-bromo-N-(5-bromo-2-pyridinyl)-3-methoxynaphthalene-2-carboxamide has a molecular weight of 436.10 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(5-bromo-2-pyridinyl)-3-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 3654451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).