3-bromo-N-[6-(2-methoxyanilino)-3-pyridinyl]benzamide

C19H16BrN3O2 — CID 113019293

IUPAC3-bromo-N-[6-(2-methoxyanilino)-3-pyridinyl]benzamide
SMILESCOc1ccccc1Nc1ccc(NC(=O)c2cccc(Br)c2)cn1
InChIInChI=1S/C19H16BrN3O2/c1-25-17-8-3-2-7-16(17)23-18-10-9-15(12-21-18)22-19(24)13-5-4-6-14(20)11-13/h2-12H,1H3,(H,21,23)(H,22,24)
InChIKeyLPDXCMKCRFGMRN-UHFFFAOYSA-N
MW398.26 g/mol
LogP4.85
Rot. Bonds5

About 3-bromo-N-[6-(2-methoxyanilino)-3-pyridinyl]benzamide

3-bromo-N-[6-(2-methoxyanilino)-3-pyridinyl]benzamide (PubChem CID 113019293) has the molecular formula C19H16BrN3O2 and a molecular weight of 398.26 g/mol. Its IUPAC name is 3-bromo-N-[6-(2-methoxyanilino)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[6-(2-methoxyanilino)-3-pyridinyl]benzamide
PubChem CID113019293
Molecular FormulaC19H16BrN3O2
Molecular Weight398.26 g/mol
Exact Mass397.04
IUPAC Name3-bromo-N-[6-(2-methoxyanilino)-3-pyridinyl]benzamide
SMILESCOc1ccccc1Nc1ccc(NC(=O)c2cccc(Br)c2)cn1
InChIInChI=1S/C19H16BrN3O2/c1-25-17-8-3-2-7-16(17)23-18-10-9-15(12-21-18)22-19(24)13-5-4-6-14(20)11-13/h2-12H,1H3,(H,21,23)(H,22,24)
InChIKeyLPDXCMKCRFGMRN-UHFFFAOYSA-N
XLogP4.85
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.26
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide
CID 113019497
3-bromo-N-[6-(3-methoxyanilino)-3-pyridinyl]benzamide
CID 113019395
3-[(3-bromobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 52644751
3,4-dimethoxy-N-[6-(2-methylanilino)-3-pyridinyl]benzamide
CID 113016106
methyl 4-[[6-(2-methoxyanilino)pyridine-3-carbonyl]amino]benzoate
CID 109163865
N-(4-chlorophenyl)-6-(2-methoxyanilino)pyridine-3-carboxamide
CID 109163500
N-(3-bromophenyl)-5-(2-methoxyanilino)pyridine-2-carboxamide
CID 109199748
3-bromo-N-[4-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 42764174
N-[6-(4-bromo-2-methylanilino)-3-pyridinyl]-3-methylbenzamide
CID 113021502
N-(3,4-dimethoxyphenyl)-6-(2-ethoxyanilino)pyridine-3-carboxamide
CID 109164098
N-(3-acetamido-4-methoxyphenyl)-3-bromobenzamide
CID 35346015
6-(2-bromoanilino)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109163910

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[6-(2-methoxyanilino)-3-pyridinyl]benzamide?
The IUPAC name of 3-bromo-N-[6-(2-methoxyanilino)-3-pyridinyl]benzamide (CID 113019293) is 3-bromo-N-[6-(2-methoxyanilino)-3-pyridinyl]benzamide.
What is the SMILES notation for 3-bromo-N-[6-(2-methoxyanilino)-3-pyridinyl]benzamide?
The canonical SMILES for 3-bromo-N-[6-(2-methoxyanilino)-3-pyridinyl]benzamide is COc1ccccc1Nc1ccc(NC(=O)c2cccc(Br)c2)cn1.
What is the InChIKey of 3-bromo-N-[6-(2-methoxyanilino)-3-pyridinyl]benzamide?
The InChIKey is LPDXCMKCRFGMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O2/c1-25-17-8-3-2-7-16(17)23-18-10-9-15(12-21-18)22-19(24)13-5-4-6-14(20)11-13/h2-12H,1H3,(H,21,23)(H,22,24).
What are the key properties of 3-bromo-N-[6-(2-methoxyanilino)-3-pyridinyl]benzamide?
3-bromo-N-[6-(2-methoxyanilino)-3-pyridinyl]benzamide has a molecular weight of 398.26 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[6-(2-methoxyanilino)-3-pyridinyl]benzamide is sourced from PubChem (CID 113019293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).