5-(2-bromo-4-methylanilino)-N-propylpyridine-2-carboxamide

C16H18BrN3O — CID 109179204

IUPAC5-(2-bromo-4-methylanilino)-N-propylpyridine-2-carboxamide
SMILESCCCNC(=O)c1ccc(Nc2ccc(C)cc2Br)cn1
InChIInChI=1S/C16H18BrN3O/c1-3-8-18-16(21)15-7-5-12(10-19-15)20-14-6-4-11(2)9-13(14)17/h4-7,9-10,20H,3,8H2,1-2H3,(H,18,21)
InChIKeyXDVBUMNVXOQNBQ-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.04
Rot. Bonds5

About 5-(2-bromo-4-methylanilino)-N-propylpyridine-2-carboxamide

5-(2-bromo-4-methylanilino)-N-propylpyridine-2-carboxamide (PubChem CID 109179204) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is 5-(2-bromo-4-methylanilino)-N-propylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(2-bromo-4-methylanilino)-N-propylpyridine-2-carboxamide
PubChem CID109179204
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC Name5-(2-bromo-4-methylanilino)-N-propylpyridine-2-carboxamide
SMILESCCCNC(=O)c1ccc(Nc2ccc(C)cc2Br)cn1
InChIInChI=1S/C16H18BrN3O/c1-3-8-18-16(21)15-7-5-12(10-19-15)20-14-6-4-11(2)9-13(14)17/h4-7,9-10,20H,3,8H2,1-2H3,(H,18,21)
InChIKeyXDVBUMNVXOQNBQ-UHFFFAOYSA-N
XLogP4.04
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-5-(2,4-dimethylanilino)pyridine-2-carboxamide
CID 109180715
2-(2-bromo-4-methylanilino)-N-propylpyrimidine-5-carboxamide
CID 109246631
5-(2-bromo-4-methylanilino)-N-butylpyrazine-2-carboxamide
CID 109272501
5-(4-bromo-2-methylanilino)-N-butylpyridine-2-carboxamide
CID 109180783
N-butyl-5-(3,5-dimethylanilino)pyridine-2-carboxamide
CID 109180718
N-(2-bromo-4-methylphenyl)-5-(tert-butylamino)pyridine-2-carboxamide
CID 109195255
5-(4-bromo-2-methylanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183979
5-(2,5-dimethylanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 109188662
5-hydrazinyl-N-propylpyridine-2-carboxamide
CID 104642261
5-(5-chloro-2-methoxyanilino)-N-propylpyridine-2-carboxamide
CID 109179165
5-(2-cyanoanilino)-N-propylpyridine-2-carboxamide
CID 109179228
2-(2-bromo-4-methylanilino)-N-butylpyrimidine-4-carboxamide
CID 109296661

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-4-methylanilino)-N-propylpyridine-2-carboxamide?
The IUPAC name of 5-(2-bromo-4-methylanilino)-N-propylpyridine-2-carboxamide (CID 109179204) is 5-(2-bromo-4-methylanilino)-N-propylpyridine-2-carboxamide.
What is the SMILES notation for 5-(2-bromo-4-methylanilino)-N-propylpyridine-2-carboxamide?
The canonical SMILES for 5-(2-bromo-4-methylanilino)-N-propylpyridine-2-carboxamide is CCCNC(=O)c1ccc(Nc2ccc(C)cc2Br)cn1.
What is the InChIKey of 5-(2-bromo-4-methylanilino)-N-propylpyridine-2-carboxamide?
The InChIKey is XDVBUMNVXOQNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O/c1-3-8-18-16(21)15-7-5-12(10-19-15)20-14-6-4-11(2)9-13(14)17/h4-7,9-10,20H,3,8H2,1-2H3,(H,18,21).
What are the key properties of 5-(2-bromo-4-methylanilino)-N-propylpyridine-2-carboxamide?
5-(2-bromo-4-methylanilino)-N-propylpyridine-2-carboxamide has a molecular weight of 348.24 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-4-methylanilino)-N-propylpyridine-2-carboxamide is sourced from PubChem (CID 109179204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).