N-(4-bromo-2-methylphenyl)-5-(3-methoxypropylamino)pyridine-3-carboxamide

C17H20BrN3O2 — CID 109228337

IUPACN-(4-bromo-2-methylphenyl)-5-(3-methoxypropylamino)pyridine-3-carboxamide
SMILESCOCCCNc1cncc(C(=O)Nc2ccc(Br)cc2C)c1
InChIInChI=1S/C17H20BrN3O2/c1-12-8-14(18)4-5-16(12)21-17(22)13-9-15(11-19-10-13)20-6-3-7-23-2/h4-5,8-11,20H,3,6-7H2,1-2H3,(H,21,22)
InChIKeyXAKCISDUJWINTD-UHFFFAOYSA-N
MW378.27 g/mol
LogP3.85
Rot. Bonds7

About N-(4-bromo-2-methylphenyl)-5-(3-methoxypropylamino)pyridine-3-carboxamide

N-(4-bromo-2-methylphenyl)-5-(3-methoxypropylamino)pyridine-3-carboxamide (PubChem CID 109228337) has the molecular formula C17H20BrN3O2 and a molecular weight of 378.27 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-5-(3-methoxypropylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-5-(3-methoxypropylamino)pyridine-3-carboxamide
PubChem CID109228337
Molecular FormulaC17H20BrN3O2
Molecular Weight378.27 g/mol
Exact Mass377.07
IUPAC NameN-(4-bromo-2-methylphenyl)-5-(3-methoxypropylamino)pyridine-3-carboxamide
SMILESCOCCCNc1cncc(C(=O)Nc2ccc(Br)cc2C)c1
InChIInChI=1S/C17H20BrN3O2/c1-12-8-14(18)4-5-16(12)21-17(22)13-9-15(11-19-10-13)20-6-3-7-23-2/h4-5,8-11,20H,3,6-7H2,1-2H3,(H,21,22)
InChIKeyXAKCISDUJWINTD-UHFFFAOYSA-N
XLogP3.85
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 53.85
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-(4-bromo-2-methylphenyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide
CID 109252001
N-(4-bromo-2-methylphenyl)-5-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109184527
5-(3-methoxypropylamino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109228264
N-(4-bromo-2-methylphenyl)-5-(tert-butylamino)pyridine-3-carboxamide
CID 109239464
N-(2-methoxyphenyl)-5-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109228300
N-(2,5-dimethoxyphenyl)-5-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109228308
5-(3-methoxypropylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 109223169
N-(2,4-dimethylphenyl)-5-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109239101
N-(2,4-dimethylphenyl)-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109239914
N-(2,4-dimethylphenyl)-5-[2-(3-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109236799
N-(3-methoxypropyl)-5-(pentylamino)pyridine-3-carboxamide
CID 109228070
N-(2,5-dimethylphenyl)-5-(pentylamino)pyridine-3-carboxamide
CID 109240144

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-5-(3-methoxypropylamino)pyridine-3-carboxamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-5-(3-methoxypropylamino)pyridine-3-carboxamide (CID 109228337) is N-(4-bromo-2-methylphenyl)-5-(3-methoxypropylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-5-(3-methoxypropylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-5-(3-methoxypropylamino)pyridine-3-carboxamide is COCCCNc1cncc(C(=O)Nc2ccc(Br)cc2C)c1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-5-(3-methoxypropylamino)pyridine-3-carboxamide?
The InChIKey is XAKCISDUJWINTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O2/c1-12-8-14(18)4-5-16(12)21-17(22)13-9-15(11-19-10-13)20-6-3-7-23-2/h4-5,8-11,20H,3,6-7H2,1-2H3,(H,21,22).
What are the key properties of N-(4-bromo-2-methylphenyl)-5-(3-methoxypropylamino)pyridine-3-carboxamide?
N-(4-bromo-2-methylphenyl)-5-(3-methoxypropylamino)pyridine-3-carboxamide has a molecular weight of 378.27 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-5-(3-methoxypropylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109228337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).