N-benzyl-2-(2-bromo-4-methylanilino)pyridine-4-carboxamide

C20H18BrN3O — CID 109169486

IUPACN-benzyl-2-(2-bromo-4-methylanilino)pyridine-4-carboxamide
SMILESCc1ccc(Nc2cc(C(=O)NCc3ccccc3)ccn2)c(Br)c1
InChIInChI=1S/C20H18BrN3O/c1-14-7-8-18(17(21)11-14)24-19-12-16(9-10-22-19)20(25)23-13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,22,24)(H,23,25)
InChIKeyYEYDGRHZIIVWSR-UHFFFAOYSA-N
MW396.29 g/mol
LogP4.83
Rot. Bonds5

About N-benzyl-2-(2-bromo-4-methylanilino)pyridine-4-carboxamide

N-benzyl-2-(2-bromo-4-methylanilino)pyridine-4-carboxamide (PubChem CID 109169486) has the molecular formula C20H18BrN3O and a molecular weight of 396.29 g/mol. Its IUPAC name is N-benzyl-2-(2-bromo-4-methylanilino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(2-bromo-4-methylanilino)pyridine-4-carboxamide
PubChem CID109169486
Molecular FormulaC20H18BrN3O
Molecular Weight396.29 g/mol
Exact Mass395.06
IUPAC NameN-benzyl-2-(2-bromo-4-methylanilino)pyridine-4-carboxamide
SMILESCc1ccc(Nc2cc(C(=O)NCc3ccccc3)ccn2)c(Br)c1
InChIInChI=1S/C20H18BrN3O/c1-14-7-8-18(17(21)11-14)24-19-12-16(9-10-22-19)20(25)23-13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,22,24)(H,23,25)
InChIKeyYEYDGRHZIIVWSR-UHFFFAOYSA-N
XLogP4.83
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.29
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(4-chloro-2-methylanilino)pyridine-4-carboxamide
CID 109169457
2-(2-bromo-4-methylanilino)-N-methyl-N-phenylpyridine-4-carboxamide
CID 109176370
2-(2-bromoanilino)-N-(2-phenylethyl)pyridine-4-carboxamide
CID 109172229
2-(2,4-difluoroanilino)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
CID 109169816
N-benzyl-2-(2,3-dichloroanilino)pyridine-4-carboxamide
CID 109169498
N-benzyl-2-(4-tert-butylanilino)pyridine-4-carboxamide
CID 109169454
2-(methylamino)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 62166427
N-[(3,4-dimethoxyphenyl)methyl]-2-(2,4-dimethylanilino)pyridine-4-carboxamide
CID 109173893
2-(2-bromoanilino)-N-(3-methylphenyl)pyridine-4-carboxamide
CID 109176245
2-(4-chloro-2-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 109172024
2-hydrazinyl-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
CID 62235984
2-amino-N-benzylpyridine-4-carboxamide
CID 18752897

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-bromo-4-methylanilino)pyridine-4-carboxamide?
The IUPAC name of N-benzyl-2-(2-bromo-4-methylanilino)pyridine-4-carboxamide (CID 109169486) is N-benzyl-2-(2-bromo-4-methylanilino)pyridine-4-carboxamide.
What is the SMILES notation for N-benzyl-2-(2-bromo-4-methylanilino)pyridine-4-carboxamide?
The canonical SMILES for N-benzyl-2-(2-bromo-4-methylanilino)pyridine-4-carboxamide is Cc1ccc(Nc2cc(C(=O)NCc3ccccc3)ccn2)c(Br)c1.
What is the InChIKey of N-benzyl-2-(2-bromo-4-methylanilino)pyridine-4-carboxamide?
The InChIKey is YEYDGRHZIIVWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O/c1-14-7-8-18(17(21)11-14)24-19-12-16(9-10-22-19)20(25)23-13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-benzyl-2-(2-bromo-4-methylanilino)pyridine-4-carboxamide?
N-benzyl-2-(2-bromo-4-methylanilino)pyridine-4-carboxamide has a molecular weight of 396.29 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-bromo-4-methylanilino)pyridine-4-carboxamide is sourced from PubChem (CID 109169486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).