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

C19H16BrN3O2 — CID 113019395

IUPAC3-bromo-N-[6-(3-methoxyanilino)-3-pyridinyl]benzamide
SMILESCOc1cccc(Nc2ccc(NC(=O)c3cccc(Br)c3)cn2)c1
InChIInChI=1S/C19H16BrN3O2/c1-25-17-7-3-6-15(11-17)22-18-9-8-16(12-21-18)23-19(24)13-4-2-5-14(20)10-13/h2-12H,1H3,(H,21,22)(H,23,24)
InChIKeyFUIXZJLZRCKMHB-UHFFFAOYSA-N
MW398.26 g/mol
LogP4.85
Rot. Bonds5

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

3-bromo-N-[6-(3-methoxyanilino)-3-pyridinyl]benzamide (PubChem CID 113019395) has the molecular formula C19H16BrN3O2 and a molecular weight of 398.26 g/mol. Its IUPAC name is 3-bromo-N-[6-(3-methoxyanilino)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[6-(3-methoxyanilino)-3-pyridinyl]benzamide
PubChem CID113019395
Molecular FormulaC19H16BrN3O2
Molecular Weight398.26 g/mol
Exact Mass397.04
IUPAC Name3-bromo-N-[6-(3-methoxyanilino)-3-pyridinyl]benzamide
SMILESCOc1cccc(Nc2ccc(NC(=O)c3cccc(Br)c3)cn2)c1
InChIInChI=1S/C19H16BrN3O2/c1-25-17-7-3-6-15(11-17)22-18-9-8-16(12-21-18)23-19(24)13-4-2-5-14(20)10-13/h2-12H,1H3,(H,21,22)(H,23,24)
InChIKeyFUIXZJLZRCKMHB-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
6-(3-bromoanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109163992
3-bromo-N-[6-(2-methoxyanilino)-3-pyridinyl]benzamide
CID 113019293
3-methoxy-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
CID 113034061
2-(3-bromoanilino)-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 109177974
N-(3-bromophenyl)-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109178014
3-methoxy-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide
CID 113017819
2-(3-bromoanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide
CID 109269522
N-[6-(3-methoxyanilino)-3-pyridinyl]propanamide
CID 113019375
N-[6-(3-methoxyanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113019421
N-[6-(2,6-difluoroanilino)-3-pyridinyl]-3-methoxybenzamide
CID 113023123
6-(3,4-dimethoxyanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109163977

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[6-(3-methoxyanilino)-3-pyridinyl]benzamide?
The IUPAC name of 3-bromo-N-[6-(3-methoxyanilino)-3-pyridinyl]benzamide (CID 113019395) is 3-bromo-N-[6-(3-methoxyanilino)-3-pyridinyl]benzamide.
What is the SMILES notation for 3-bromo-N-[6-(3-methoxyanilino)-3-pyridinyl]benzamide?
The canonical SMILES for 3-bromo-N-[6-(3-methoxyanilino)-3-pyridinyl]benzamide is COc1cccc(Nc2ccc(NC(=O)c3cccc(Br)c3)cn2)c1.
What is the InChIKey of 3-bromo-N-[6-(3-methoxyanilino)-3-pyridinyl]benzamide?
The InChIKey is FUIXZJLZRCKMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O2/c1-25-17-7-3-6-15(11-17)22-18-9-8-16(12-21-18)23-19(24)13-4-2-5-14(20)10-13/h2-12H,1H3,(H,21,22)(H,23,24).
What are the key properties of 3-bromo-N-[6-(3-methoxyanilino)-3-pyridinyl]benzamide?
3-bromo-N-[6-(3-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-(3-methoxyanilino)-3-pyridinyl]benzamide is sourced from PubChem (CID 113019395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).