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

C17H20BrN3O2 — CID 109184527

IUPACN-(4-bromo-2-methylphenyl)-5-(3-methoxypropylamino)pyridine-2-carboxamide
SMILESCOCCCNc1ccc(C(=O)Nc2ccc(Br)cc2C)nc1
InChIInChI=1S/C17H20BrN3O2/c1-12-10-13(18)4-6-15(12)21-17(22)16-7-5-14(11-20-16)19-8-3-9-23-2/h4-7,10-11,19H,3,8-9H2,1-2H3,(H,21,22)
InChIKeyYTRBBWRJXBDZJQ-UHFFFAOYSA-N
MW378.27 g/mol
LogP3.85
Rot. Bonds7

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

N-(4-bromo-2-methylphenyl)-5-(3-methoxypropylamino)pyridine-2-carboxamide (PubChem CID 109184527) 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-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-5-(3-methoxypropylamino)pyridine-2-carboxamide
PubChem CID109184527
Molecular FormulaC17H20BrN3O2
Molecular Weight378.27 g/mol
Exact Mass377.07
IUPAC NameN-(4-bromo-2-methylphenyl)-5-(3-methoxypropylamino)pyridine-2-carboxamide
SMILESCOCCCNc1ccc(C(=O)Nc2ccc(Br)cc2C)nc1
InChIInChI=1S/C17H20BrN3O2/c1-12-10-13(18)4-6-15(12)21-17(22)16-7-5-14(11-20-16)19-8-3-9-23-2/h4-7,10-11,19H,3,8-9H2,1-2H3,(H,21,22)
InChIKeyYTRBBWRJXBDZJQ-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)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195688
N-(4-bromo-2-methylphenyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide
CID 109252001
N-(4-bromo-2-methylphenyl)-5-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109228337
N-(5-chloro-2-methylphenyl)-5-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109184481
5-(4-bromo-2-methylanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183979
N-(3-methoxypropyl)-5-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109184195
N-(2,4-dimethylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276285
N-(4-chloro-2-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195856
5-(ethylamino)-N-(4-methoxy-2-methylphenyl)pyridine-2-carboxamide
CID 104641184
N-(4-bromo-2-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115577245
N-(4-bromophenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109206317
N-(3,5-dimethylphenyl)-5-(2-methoxyethylamino)pyridine-2-carboxamide
CID 109184098

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-5-(3-methoxypropylamino)pyridine-2-carboxamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-5-(3-methoxypropylamino)pyridine-2-carboxamide (CID 109184527) is N-(4-bromo-2-methylphenyl)-5-(3-methoxypropylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-5-(3-methoxypropylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-5-(3-methoxypropylamino)pyridine-2-carboxamide is COCCCNc1ccc(C(=O)Nc2ccc(Br)cc2C)nc1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-5-(3-methoxypropylamino)pyridine-2-carboxamide?
The InChIKey is YTRBBWRJXBDZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O2/c1-12-10-13(18)4-6-15(12)21-17(22)16-7-5-14(11-20-16)19-8-3-9-23-2/h4-7,10-11,19H,3,8-9H2,1-2H3,(H,21,22).
What are the key properties of N-(4-bromo-2-methylphenyl)-5-(3-methoxypropylamino)pyridine-2-carboxamide?
N-(4-bromo-2-methylphenyl)-5-(3-methoxypropylamino)pyridine-2-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-2-carboxamide is sourced from PubChem (CID 109184527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).