N-(3-bromophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide

C17H21BrN4O — CID 109154345

IUPACN-(3-bromophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
SMILESCN(C)CCCNc1ccc(C(=O)Nc2cccc(Br)c2)cn1
InChIInChI=1S/C17H21BrN4O/c1-22(2)10-4-9-19-16-8-7-13(12-20-16)17(23)21-15-6-3-5-14(18)11-15/h3,5-8,11-12H,4,9-10H2,1-2H3,(H,19,20)(H,21,23)
InChIKeyCUOADEKKFNRCJY-UHFFFAOYSA-N
MW377.29 g/mol
LogP3.46
Rot. Bonds7

About N-(3-bromophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide

N-(3-bromophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide (PubChem CID 109154345) has the molecular formula C17H21BrN4O and a molecular weight of 377.29 g/mol. Its IUPAC name is N-(3-bromophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
PubChem CID109154345
Molecular FormulaC17H21BrN4O
Molecular Weight377.29 g/mol
Exact Mass376.09
IUPAC NameN-(3-bromophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
SMILESCN(C)CCCNc1ccc(C(=O)Nc2cccc(Br)c2)cn1
InChIInChI=1S/C17H21BrN4O/c1-22(2)10-4-9-19-16-8-7-13(12-20-16)17(23)21-15-6-3-5-14(18)11-15/h3,5-8,11-12H,4,9-10H2,1-2H3,(H,19,20)(H,21,23)
InChIKeyCUOADEKKFNRCJY-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
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

N-(3-acetamidophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 109154328
N-(2-bromophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 109154344
N-(3-bromophenyl)-2-[2-(dimethylamino)ethylamino]pyrimidine-5-carboxamide
CID 109253002
N-(3-acetylphenyl)-6-(butylamino)pyridine-3-carboxamide
CID 109151637
N-(3-bromophenyl)-6-hydrazinylpyridine-3-carboxamide
CID 62248318
3-chloro-N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]benzamide
CID 113010961
4-bromo-N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]benzamide
CID 113025721
6-anilino-N-(3-bromophenyl)pyridine-3-carboxamide
CID 109162087
N-(3-acetamidophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109153216
N-(3-acetylphenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160811
6-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109153720
6-(3-bromoanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109163992

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide?
The IUPAC name of N-(3-bromophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide (CID 109154345) is N-(3-bromophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide is CN(C)CCCNc1ccc(C(=O)Nc2cccc(Br)c2)cn1.
What is the InChIKey of N-(3-bromophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide?
The InChIKey is CUOADEKKFNRCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN4O/c1-22(2)10-4-9-19-16-8-7-13(12-20-16)17(23)21-15-6-3-5-14(18)11-15/h3,5-8,11-12H,4,9-10H2,1-2H3,(H,19,20)(H,21,23).
What are the key properties of N-(3-bromophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide?
N-(3-bromophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide has a molecular weight of 377.29 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide is sourced from PubChem (CID 109154345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).