4-(4-bromoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide

C17H21BrN4O — CID 109207821

IUPAC4-(4-bromoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
SMILESCN(C)CCCNC(=O)c1cc(Nc2ccc(Br)cc2)ccn1
InChIInChI=1S/C17H21BrN4O/c1-22(2)11-3-9-20-17(23)16-12-15(8-10-19-16)21-14-6-4-13(18)5-7-14/h4-8,10,12H,3,9,11H2,1-2H3,(H,19,21)(H,20,23)
InChIKeyWUMYAHSYPBALJO-UHFFFAOYSA-N
MW377.29 g/mol
LogP3.27
Rot. Bonds7

About 4-(4-bromoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide

4-(4-bromoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide (PubChem CID 109207821) has the molecular formula C17H21BrN4O and a molecular weight of 377.29 g/mol. Its IUPAC name is 4-(4-bromoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-bromoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
PubChem CID109207821
Molecular FormulaC17H21BrN4O
Molecular Weight377.29 g/mol
Exact Mass376.09
IUPAC Name4-(4-bromoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
SMILESCN(C)CCCNC(=O)c1cc(Nc2ccc(Br)cc2)ccn1
InChIInChI=1S/C17H21BrN4O/c1-22(2)11-3-9-20-17(23)16-12-15(8-10-19-16)21-14-6-4-13(18)5-7-14/h4-8,10,12H,3,9,11H2,1-2H3,(H,19,21)(H,20,23)
InChIKeyWUMYAHSYPBALJO-UHFFFAOYSA-N
XLogP3.27
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.29
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109207839
4-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109207266
4-(2-bromo-4-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109207857
ethyl 4-[[2-[2-(dimethylamino)ethylcarbamoyl]-4-pyridinyl]amino]benzoate
CID 109207240
N-[3-(dimethylamino)propyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109207769
N-[3-(dimethylamino)propyl]-4-(furan-2-ylmethylamino)pyridine-2-carboxamide
CID 109207723
N-[3-(dimethylamino)propyl]-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109207743
N-[2-(dimethylamino)ethyl]-4-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109207209
6-(3-bromoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide
CID 109344991
4-(tert-butylamino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
CID 109207144
N-[2-(dimethylamino)ethyl]-4-(2,4-dimethylanilino)pyridine-2-carboxamide
CID 109207165
4-(4-bromo-2-methylanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109206176

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide?
The IUPAC name of 4-(4-bromoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide (CID 109207821) is 4-(4-bromoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-bromoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(4-bromoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide is CN(C)CCCNC(=O)c1cc(Nc2ccc(Br)cc2)ccn1.
What is the InChIKey of 4-(4-bromoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide?
The InChIKey is WUMYAHSYPBALJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN4O/c1-22(2)11-3-9-20-17(23)16-12-15(8-10-19-16)21-14-6-4-13(18)5-7-14/h4-8,10,12H,3,9,11H2,1-2H3,(H,19,21)(H,20,23).
What are the key properties of 4-(4-bromoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide?
4-(4-bromoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide has a molecular weight of 377.29 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide is sourced from PubChem (CID 109207821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).