2-(2-bromoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide

C20H18BrN3O2 — CID 23632978

IUPAC2-(2-bromoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cccnc1Nc1ccccc1Br
InChIInChI=1S/C20H18BrN3O2/c1-26-18-11-5-2-7-14(18)13-23-20(25)15-8-6-12-22-19(15)24-17-10-4-3-9-16(17)21/h2-12H,13H2,1H3,(H,22,24)(H,23,25)
InChIKeyAEKNRZHODVXPQS-UHFFFAOYSA-N
MW412.29 g/mol
LogP4.53
Rot. Bonds6

About 2-(2-bromoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide

2-(2-bromoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide (PubChem CID 23632978) has the molecular formula C20H18BrN3O2 and a molecular weight of 412.29 g/mol. Its IUPAC name is 2-(2-bromoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-bromoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
PubChem CID23632978
Molecular FormulaC20H18BrN3O2
Molecular Weight412.29 g/mol
Exact Mass411.06
IUPAC Name2-(2-bromoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cccnc1Nc1ccccc1Br
InChIInChI=1S/C20H18BrN3O2/c1-26-18-11-5-2-7-14(18)13-23-20(25)15-8-6-12-22-19(15)24-17-10-4-3-9-16(17)21/h2-12H,13H2,1H3,(H,22,24)(H,23,25)
InChIKeyAEKNRZHODVXPQS-UHFFFAOYSA-N
XLogP4.53
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.29
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyanilino)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-3-carboxamide
CID 31945919
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyanilino)pyridine-3-carboxamide
CID 55394070
2-(2-methoxyanilino)-N-propylpyridine-3-carboxamide
CID 32736796
N-[(2-methoxyphenyl)methyl]quinoxaline-5-carboxamide
CID 110701357
3-hydroxy-N-[(2-methoxyphenyl)methyl]-2-methylbenzamide
CID 82786350
N-[(2-hydroxyphenyl)methyl]-2-methoxypyridine-3-carboxamide
CID 115598782
N-(2-bromophenyl)-2-(3-methoxyanilino)pyridine-3-carboxamide
CID 23632783
2,3-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912335
2-iodo-N-[(2-methoxyphenyl)methyl]benzamide
CID 1378811
2-benzamido-N-[(2-methoxyphenyl)methyl]benzamide
CID 9404635
2-(2-bromoanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 23632878
2-(2-methoxyanilino)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]pyridine-3-carboxamide
CID 56524162

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-(2-bromoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide (CID 23632978) is 2-(2-bromoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(2-bromoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(2-bromoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide is COc1ccccc1CNC(=O)c1cccnc1Nc1ccccc1Br.
What is the InChIKey of 2-(2-bromoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is AEKNRZHODVXPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O2/c1-26-18-11-5-2-7-14(18)13-23-20(25)15-8-6-12-22-19(15)24-17-10-4-3-9-16(17)21/h2-12H,13H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 2-(2-bromoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide?
2-(2-bromoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 412.29 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 23632978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).