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

C17H20BrN3O — CID 109180783

IUPAC5-(4-bromo-2-methylanilino)-N-butylpyridine-2-carboxamide
SMILESCCCCNC(=O)c1ccc(Nc2ccc(Br)cc2C)cn1
InChIInChI=1S/C17H20BrN3O/c1-3-4-9-19-17(22)16-8-6-14(11-20-16)21-15-7-5-13(18)10-12(15)2/h5-8,10-11,21H,3-4,9H2,1-2H3,(H,19,22)
InChIKeyLJMXZURGCMFYLO-UHFFFAOYSA-N
MW362.27 g/mol
LogP4.43
Rot. Bonds6

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

5-(4-bromo-2-methylanilino)-N-butylpyridine-2-carboxamide (PubChem CID 109180783) has the molecular formula C17H20BrN3O and a molecular weight of 362.27 g/mol. Its IUPAC name is 5-(4-bromo-2-methylanilino)-N-butylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-bromo-2-methylanilino)-N-butylpyridine-2-carboxamide
PubChem CID109180783
Molecular FormulaC17H20BrN3O
Molecular Weight362.27 g/mol
Exact Mass361.08
IUPAC Name5-(4-bromo-2-methylanilino)-N-butylpyridine-2-carboxamide
SMILESCCCCNC(=O)c1ccc(Nc2ccc(Br)cc2C)cn1
InChIInChI=1S/C17H20BrN3O/c1-3-4-9-19-17(22)16-8-6-14(11-20-16)21-15-7-5-13(18)10-12(15)2/h5-8,10-11,21H,3-4,9H2,1-2H3,(H,19,22)
InChIKeyLJMXZURGCMFYLO-UHFFFAOYSA-N
XLogP4.43
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 54.43
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

N-butyl-5-(2,4-dimethylanilino)pyridine-2-carboxamide
CID 109180715
5-(4-bromo-2-methylanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183979
N-butyl-5-(3,5-dimethylanilino)pyridine-2-carboxamide
CID 109180718
5-(3-bromoanilino)-N-pentylpyridine-2-carboxamide
CID 109195790
6-N-(4-bromo-2-methylphenyl)-2-N-butylpyridine-2,6-dicarboxamide
CID 109094353
5-(2-bromo-4-methylanilino)-N-propylpyridine-2-carboxamide
CID 109179204
4-(4-bromo-2-methylanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109206176
N-(4-bromo-2-methylphenyl)-5-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109184527
5-(4-bromoanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184307
6-(4-bromo-2-methylanilino)-N-propylpyrimidine-4-carboxamide
CID 109338601
N-butyl-5-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109180787
N-butyl-5-[4-(diethylamino)anilino]pyridine-2-carboxamide
CID 109180770

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-methylanilino)-N-butylpyridine-2-carboxamide?
The IUPAC name of 5-(4-bromo-2-methylanilino)-N-butylpyridine-2-carboxamide (CID 109180783) is 5-(4-bromo-2-methylanilino)-N-butylpyridine-2-carboxamide.
What is the SMILES notation for 5-(4-bromo-2-methylanilino)-N-butylpyridine-2-carboxamide?
The canonical SMILES for 5-(4-bromo-2-methylanilino)-N-butylpyridine-2-carboxamide is CCCCNC(=O)c1ccc(Nc2ccc(Br)cc2C)cn1.
What is the InChIKey of 5-(4-bromo-2-methylanilino)-N-butylpyridine-2-carboxamide?
The InChIKey is LJMXZURGCMFYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O/c1-3-4-9-19-17(22)16-8-6-14(11-20-16)21-15-7-5-13(18)10-12(15)2/h5-8,10-11,21H,3-4,9H2,1-2H3,(H,19,22).
What are the key properties of 5-(4-bromo-2-methylanilino)-N-butylpyridine-2-carboxamide?
5-(4-bromo-2-methylanilino)-N-butylpyridine-2-carboxamide has a molecular weight of 362.27 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-methylanilino)-N-butylpyridine-2-carboxamide is sourced from PubChem (CID 109180783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).