2-(2-bromo-4-methylanilino)-N-methyl-N-phenylpyridine-4-carboxamide

C20H18BrN3O — CID 109176370

IUPAC2-(2-bromo-4-methylanilino)-N-methyl-N-phenylpyridine-4-carboxamide
SMILESCc1ccc(Nc2cc(C(=O)N(C)c3ccccc3)ccn2)c(Br)c1
InChIInChI=1S/C20H18BrN3O/c1-14-8-9-18(17(21)12-14)23-19-13-15(10-11-22-19)20(25)24(2)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,22,23)
InChIKeyPZLRAMBLWVBBGE-UHFFFAOYSA-N
MW396.29 g/mol
LogP5.17
Rot. Bonds4

About 2-(2-bromo-4-methylanilino)-N-methyl-N-phenylpyridine-4-carboxamide

2-(2-bromo-4-methylanilino)-N-methyl-N-phenylpyridine-4-carboxamide (PubChem CID 109176370) has the molecular formula C20H18BrN3O and a molecular weight of 396.29 g/mol. Its IUPAC name is 2-(2-bromo-4-methylanilino)-N-methyl-N-phenylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-bromo-4-methylanilino)-N-methyl-N-phenylpyridine-4-carboxamide
PubChem CID109176370
Molecular FormulaC20H18BrN3O
Molecular Weight396.29 g/mol
Exact Mass395.06
IUPAC Name2-(2-bromo-4-methylanilino)-N-methyl-N-phenylpyridine-4-carboxamide
SMILESCc1ccc(Nc2cc(C(=O)N(C)c3ccccc3)ccn2)c(Br)c1
InChIInChI=1S/C20H18BrN3O/c1-14-8-9-18(17(21)12-14)23-19-13-15(10-11-22-19)20(25)24(2)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,22,23)
InChIKeyPZLRAMBLWVBBGE-UHFFFAOYSA-N
XLogP5.17
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.29
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(2-bromo-4-methylanilino)pyridine-4-carboxamide
CID 109169486
2-(4-chloro-2,5-dimethoxyanilino)-N-methyl-N-phenylpyridine-4-carboxamide
CID 109176377
6-(2,4-dimethylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109356432
2-(cyclopropanecarbonylamino)-N-methyl-N-phenylpyridine-4-carboxamide
CID 136541713
N-(2-bromo-4-methylphenyl)-N'-methyl-N'-phenyloxamide
CID 108521021
2-(2-bromoanilino)-N,N-dipropylpyridine-4-carboxamide
CID 109175871
2-(3-chloro-4-methoxyanilino)-N-methyl-N-phenylpyridine-4-carboxamide
CID 109176346
2-(2-bromoanilino)-N-(3-methylphenyl)pyridine-4-carboxamide
CID 109176245
methyl 2-(2-bromo-5-methylanilino)pyridine-4-carboxylate
CID 114075074
N-methyl-N-phenyl-2-(3-phenylpropylamino)pyridine-4-carboxamide
CID 109174859
[2-(2-bromo-4-methylanilino)-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109175751
N-(2-bromo-4-methylphenyl)-N'-methyl-N'-phenylpropanediamide
CID 108953221

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylanilino)-N-methyl-N-phenylpyridine-4-carboxamide?
The IUPAC name of 2-(2-bromo-4-methylanilino)-N-methyl-N-phenylpyridine-4-carboxamide (CID 109176370) is 2-(2-bromo-4-methylanilino)-N-methyl-N-phenylpyridine-4-carboxamide.
What is the SMILES notation for 2-(2-bromo-4-methylanilino)-N-methyl-N-phenylpyridine-4-carboxamide?
The canonical SMILES for 2-(2-bromo-4-methylanilino)-N-methyl-N-phenylpyridine-4-carboxamide is Cc1ccc(Nc2cc(C(=O)N(C)c3ccccc3)ccn2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylanilino)-N-methyl-N-phenylpyridine-4-carboxamide?
The InChIKey is PZLRAMBLWVBBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O/c1-14-8-9-18(17(21)12-14)23-19-13-15(10-11-22-19)20(25)24(2)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,22,23).
What are the key properties of 2-(2-bromo-4-methylanilino)-N-methyl-N-phenylpyridine-4-carboxamide?
2-(2-bromo-4-methylanilino)-N-methyl-N-phenylpyridine-4-carboxamide has a molecular weight of 396.29 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylanilino)-N-methyl-N-phenylpyridine-4-carboxamide is sourced from PubChem (CID 109176370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).