5-(3-bromoanilino)-N-pentylpyridine-2-carboxamide

C17H20BrN3O — CID 109195790

IUPAC5-(3-bromoanilino)-N-pentylpyridine-2-carboxamide
SMILESCCCCCNC(=O)c1ccc(Nc2cccc(Br)c2)cn1
InChIInChI=1S/C17H20BrN3O/c1-2-3-4-10-19-17(22)16-9-8-15(12-20-16)21-14-7-5-6-13(18)11-14/h5-9,11-12,21H,2-4,10H2,1H3,(H,19,22)
InChIKeyCADYWGVLVCBIGT-UHFFFAOYSA-N
MW362.27 g/mol
LogP4.51
Rot. Bonds7

About 5-(3-bromoanilino)-N-pentylpyridine-2-carboxamide

5-(3-bromoanilino)-N-pentylpyridine-2-carboxamide (PubChem CID 109195790) has the molecular formula C17H20BrN3O and a molecular weight of 362.27 g/mol. Its IUPAC name is 5-(3-bromoanilino)-N-pentylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-bromoanilino)-N-pentylpyridine-2-carboxamide
PubChem CID109195790
Molecular FormulaC17H20BrN3O
Molecular Weight362.27 g/mol
Exact Mass361.08
IUPAC Name5-(3-bromoanilino)-N-pentylpyridine-2-carboxamide
SMILESCCCCCNC(=O)c1ccc(Nc2cccc(Br)c2)cn1
InChIInChI=1S/C17H20BrN3O/c1-2-3-4-10-19-17(22)16-9-8-15(12-20-16)21-14-7-5-6-13(18)11-14/h5-9,11-12,21H,2-4,10H2,1H3,(H,19,22)
InChIKeyCADYWGVLVCBIGT-UHFFFAOYSA-N
XLogP4.51
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(3-bromoanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184344
5-(3-fluoroanilino)-N-pentylpyridine-2-carboxamide
CID 109195788
5-(3-acetamidoanilino)-N-pentylpyridine-2-carboxamide
CID 109195775
5-(3-bromoanilino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
CID 109185426
N-butyl-5-(3,5-dimethylanilino)pyridine-2-carboxamide
CID 109180718
5-(4-bromo-2-methylanilino)-N-butylpyridine-2-carboxamide
CID 109180783
5-(3-bromoanilino)-N-cyclopentylpyridine-2-carboxamide
CID 109182312
5-(4-cyanoanilino)-N-pentylpyridine-2-carboxamide
CID 109195813
N-pentyl-5-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
CID 109195799
6-N-(3-bromophenyl)-2-N-butylpyridine-2,6-dicarboxamide
CID 109094351
5-(3-bromoanilino)-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109198855
5-(3-bromoanilino)-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109198518

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromoanilino)-N-pentylpyridine-2-carboxamide?
The IUPAC name of 5-(3-bromoanilino)-N-pentylpyridine-2-carboxamide (CID 109195790) is 5-(3-bromoanilino)-N-pentylpyridine-2-carboxamide.
What is the SMILES notation for 5-(3-bromoanilino)-N-pentylpyridine-2-carboxamide?
The canonical SMILES for 5-(3-bromoanilino)-N-pentylpyridine-2-carboxamide is CCCCCNC(=O)c1ccc(Nc2cccc(Br)c2)cn1.
What is the InChIKey of 5-(3-bromoanilino)-N-pentylpyridine-2-carboxamide?
The InChIKey is CADYWGVLVCBIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O/c1-2-3-4-10-19-17(22)16-9-8-15(12-20-16)21-14-7-5-6-13(18)11-14/h5-9,11-12,21H,2-4,10H2,1H3,(H,19,22).
What are the key properties of 5-(3-bromoanilino)-N-pentylpyridine-2-carboxamide?
5-(3-bromoanilino)-N-pentylpyridine-2-carboxamide has a molecular weight of 362.27 g/mol, XLogP of 4.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromoanilino)-N-pentylpyridine-2-carboxamide is sourced from PubChem (CID 109195790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).