N-(2-bromophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide

C16H18BrN3O2 — CID 109153234

IUPACN-(2-bromophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide
SMILESCOCCCNc1ccc(C(=O)Nc2ccccc2Br)cn1
InChIInChI=1S/C16H18BrN3O2/c1-22-10-4-9-18-15-8-7-12(11-19-15)16(21)20-14-6-3-2-5-13(14)17/h2-3,5-8,11H,4,9-10H2,1H3,(H,18,19)(H,20,21)
InChIKeyQOKSHJIAUPCMMV-UHFFFAOYSA-N
MW364.24 g/mol
LogP3.54
Rot. Bonds7

About N-(2-bromophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide

N-(2-bromophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide (PubChem CID 109153234) has the molecular formula C16H18BrN3O2 and a molecular weight of 364.24 g/mol. Its IUPAC name is N-(2-bromophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide
PubChem CID109153234
Molecular FormulaC16H18BrN3O2
Molecular Weight364.24 g/mol
Exact Mass363.06
IUPAC NameN-(2-bromophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide
SMILESCOCCCNc1ccc(C(=O)Nc2ccccc2Br)cn1
InChIInChI=1S/C16H18BrN3O2/c1-22-10-4-9-18-15-8-7-12(11-19-15)16(21)20-14-6-3-2-5-13(14)17/h2-3,5-8,11H,4,9-10H2,1H3,(H,18,19)(H,20,21)
InChIKeyQOKSHJIAUPCMMV-UHFFFAOYSA-N
XLogP3.54
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 53.54
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-(2-bromophenyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide
CID 109251998
N-(2-bromophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 109154344
N-(4-acetamidophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109153217
methyl 4-[[6-(3-methoxypropylamino)pyridine-3-carbonyl]amino]benzoate
CID 109153220
N-(3-acetamidophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109153216
6-(3-methoxypropylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 109151323
6-(butylamino)-N-(2-ethylphenyl)pyridine-3-carboxamide
CID 109151611
N-(4-ethoxyphenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109153204
6-(butylamino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109151550
6-[2-(4-methoxyphenoxy)ethylamino]-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109160906
6-(2-bromoanilino)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109163910
N-(2-bromophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109156169

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2-bromophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide (CID 109153234) is N-(2-bromophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide is COCCCNc1ccc(C(=O)Nc2ccccc2Br)cn1.
What is the InChIKey of N-(2-bromophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide?
The InChIKey is QOKSHJIAUPCMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O2/c1-22-10-4-9-18-15-8-7-12(11-19-15)16(21)20-14-6-3-2-5-13(14)17/h2-3,5-8,11H,4,9-10H2,1H3,(H,18,19)(H,20,21).
What are the key properties of N-(2-bromophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide?
N-(2-bromophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide has a molecular weight of 364.24 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109153234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).