N-(3-bromo-4-methylphenyl)-4-(N-methylanilino)pyridine-2-carboxamide

C20H18BrN3O — CID 109219450

IUPACN-(3-bromo-4-methylphenyl)-4-(N-methylanilino)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(N(C)c3ccccc3)ccn2)cc1Br
InChIInChI=1S/C20H18BrN3O/c1-14-8-9-15(12-18(14)21)23-20(25)19-13-17(10-11-22-19)24(2)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,23,25)
InChIKeyIZHPZLHFZGSCNY-UHFFFAOYSA-N
MW396.29 g/mol
LogP5.17
Rot. Bonds4

About N-(3-bromo-4-methylphenyl)-4-(N-methylanilino)pyridine-2-carboxamide

N-(3-bromo-4-methylphenyl)-4-(N-methylanilino)pyridine-2-carboxamide (PubChem CID 109219450) has the molecular formula C20H18BrN3O and a molecular weight of 396.29 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-4-(N-methylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-4-(N-methylanilino)pyridine-2-carboxamide
PubChem CID109219450
Molecular FormulaC20H18BrN3O
Molecular Weight396.29 g/mol
Exact Mass395.06
IUPAC NameN-(3-bromo-4-methylphenyl)-4-(N-methylanilino)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(N(C)c3ccccc3)ccn2)cc1Br
InChIInChI=1S/C20H18BrN3O/c1-14-8-9-15(12-18(14)21)23-20(25)19-13-17(10-11-22-19)24(2)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,23,25)
InChIKeyIZHPZLHFZGSCNY-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-(3-bromo-4-methylphenyl)-5-(N-methylanilino)pyrazine-2-carboxamide
CID 109290333
4-(N-methylanilino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109219436
N-[4-(diethylamino)phenyl]-4-(N-methylanilino)pyridine-2-carboxamide
CID 109219474
N-(2-methoxyphenyl)-4-(N-methylanilino)pyridine-2-carboxamide
CID 109219451
N-[3-(dimethylamino)propyl]-4-(N-methylanilino)pyridine-2-carboxamide
CID 109207788
N-(3-bromo-4-methylphenyl)pyrazine-2-carboxamide
CID 110699072
N-(3-bromo-4-methylphenyl)thiadiazole-4-carboxamide
CID 61068672
N-(4-bromo-3-methylphenyl)-2-(N-methylanilino)pyrimidine-5-carboxamide
CID 109266029
4-(N-methylanilino)-N-prop-2-enylpyridine-2-carboxamide
CID 109202165
4-[benzyl(methyl)amino]-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
CID 109211059
N-(3-bromo-4-methylphenyl)pyridazine-3-carboxamide
CID 110859766
N-(3,5-dimethylphenyl)-5-(N-methylanilino)pyridine-2-carboxamide
CID 109197652

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-4-(N-methylanilino)pyridine-2-carboxamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-4-(N-methylanilino)pyridine-2-carboxamide (CID 109219450) is N-(3-bromo-4-methylphenyl)-4-(N-methylanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-4-(N-methylanilino)pyridine-2-carboxamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-4-(N-methylanilino)pyridine-2-carboxamide is Cc1ccc(NC(=O)c2cc(N(C)c3ccccc3)ccn2)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-4-(N-methylanilino)pyridine-2-carboxamide?
The InChIKey is IZHPZLHFZGSCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O/c1-14-8-9-15(12-18(14)21)23-20(25)19-13-17(10-11-22-19)24(2)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,23,25).
What are the key properties of N-(3-bromo-4-methylphenyl)-4-(N-methylanilino)pyridine-2-carboxamide?
N-(3-bromo-4-methylphenyl)-4-(N-methylanilino)pyridine-2-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 N-(3-bromo-4-methylphenyl)-4-(N-methylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109219450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).