3-bromo-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide

C19H16BrN3O2 — CID 113019497

IUPAC3-bromo-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide
SMILESCOc1ccc(Nc2ccc(NC(=O)c3cccc(Br)c3)cn2)cc1
InChIInChI=1S/C19H16BrN3O2/c1-25-17-8-5-15(6-9-17)22-18-10-7-16(12-21-18)23-19(24)13-3-2-4-14(20)11-13/h2-12H,1H3,(H,21,22)(H,23,24)
InChIKeyWLBNFVFHMUYHNM-UHFFFAOYSA-N
MW398.26 g/mol
LogP4.85
Rot. Bonds5

About 3-bromo-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide

3-bromo-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide (PubChem CID 113019497) has the molecular formula C19H16BrN3O2 and a molecular weight of 398.26 g/mol. Its IUPAC name is 3-bromo-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide
PubChem CID113019497
Molecular FormulaC19H16BrN3O2
Molecular Weight398.26 g/mol
Exact Mass397.04
IUPAC Name3-bromo-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide
SMILESCOc1ccc(Nc2ccc(NC(=O)c3cccc(Br)c3)cn2)cc1
InChIInChI=1S/C19H16BrN3O2/c1-25-17-8-5-15(6-9-17)22-18-10-7-16(12-21-18)23-19(24)13-3-2-4-14(20)11-13/h2-12H,1H3,(H,21,22)(H,23,24)
InChIKeyWLBNFVFHMUYHNM-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-(3-methoxyanilino)-3-pyridinyl]benzamide
CID 113019395
3-bromo-N-[6-(2-methoxyanilino)-3-pyridinyl]benzamide
CID 113019293
6-(3-bromoanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109163992
2,6-dimethoxy-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide
CID 113019504
3-methoxy-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide
CID 113017819
3-bromo-N-[3-[(4-methoxybenzoyl)amino]phenyl]benzamide
CID 118722824
N-[6-(2,6-difluoroanilino)-3-pyridinyl]-3-methoxybenzamide
CID 113023123
N-[6-(4-methoxyanilino)-3-pyridinyl]propanamide
CID 113019477
2-fluoro-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide
CID 113019493
3-bromo-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]benzamide
CID 28902642
3-methoxy-N-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]benzamide
CID 113034569
N-[6-(4-phenoxyanilino)-3-pyridinyl]benzamide
CID 113021208

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide?
The IUPAC name of 3-bromo-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide (CID 113019497) is 3-bromo-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide.
What is the SMILES notation for 3-bromo-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide?
The canonical SMILES for 3-bromo-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide is COc1ccc(Nc2ccc(NC(=O)c3cccc(Br)c3)cn2)cc1.
What is the InChIKey of 3-bromo-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide?
The InChIKey is WLBNFVFHMUYHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O2/c1-25-17-8-5-15(6-9-17)22-18-10-7-16(12-21-18)23-19(24)13-3-2-4-14(20)11-13/h2-12H,1H3,(H,21,22)(H,23,24).
What are the key properties of 3-bromo-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide?
3-bromo-N-[6-(4-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-(4-methoxyanilino)-3-pyridinyl]benzamide is sourced from PubChem (CID 113019497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).