5-(4-bromoanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide

C20H18BrN3O — CID 109243019

IUPAC5-(4-bromoanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cncc(Nc3ccc(Br)cc3)c2)c1
InChIInChI=1S/C20H18BrN3O/c1-13-7-14(2)9-18(8-13)24-20(25)15-10-19(12-22-11-15)23-17-5-3-16(21)4-6-17/h3-12,23H,1-2H3,(H,24,25)
InChIKeyFTRARXNSBXHHJN-UHFFFAOYSA-N
MW396.29 g/mol
LogP5.46
Rot. Bonds4

About 5-(4-bromoanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide

5-(4-bromoanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide (PubChem CID 109243019) has the molecular formula C20H18BrN3O and a molecular weight of 396.29 g/mol. Its IUPAC name is 5-(4-bromoanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-bromoanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
PubChem CID109243019
Molecular FormulaC20H18BrN3O
Molecular Weight396.29 g/mol
Exact Mass395.06
IUPAC Name5-(4-bromoanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cncc(Nc3ccc(Br)cc3)c2)c1
InChIInChI=1S/C20H18BrN3O/c1-13-7-14(2)9-18(8-13)24-20(25)15-10-19(12-22-11-15)23-17-5-3-16(21)4-6-17/h3-12,23H,1-2H3,(H,24,25)
InChIKeyFTRARXNSBXHHJN-UHFFFAOYSA-N
XLogP5.46
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.29
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242129
N-(3,5-dichlorophenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242174
5-(2,6-dimethylanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 109243006
5-(4-bromoanilino)-N-tert-butylpyridine-3-carboxamide
CID 109239305
5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 109243048
N-(3,4-dimethylphenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242104
5-(4-tert-butylanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109242026
5-(4-acetylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241874
N-(2-chlorophenyl)-5-(3,5-dimethylanilino)pyridine-3-carboxamide
CID 109243068
N-(4-bromophenyl)-5-(3-methoxyanilino)pyridine-3-carboxamide
CID 109245082
N-(4-bromophenyl)-5-(tert-butylamino)pyridine-3-carboxamide
CID 109239425
N-(4-methoxyphenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242133

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromoanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(4-bromoanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide (CID 109243019) is 5-(4-bromoanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-bromoanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(4-bromoanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide is Cc1cc(C)cc(NC(=O)c2cncc(Nc3ccc(Br)cc3)c2)c1.
What is the InChIKey of 5-(4-bromoanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide?
The InChIKey is FTRARXNSBXHHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O/c1-13-7-14(2)9-18(8-13)24-20(25)15-10-19(12-22-11-15)23-17-5-3-16(21)4-6-17/h3-12,23H,1-2H3,(H,24,25).
What are the key properties of 5-(4-bromoanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide?
5-(4-bromoanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide has a molecular weight of 396.29 g/mol, XLogP of 5.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromoanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109243019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).