5-(5-amino-2-methylphenyl)-2-(2-methoxyethylamino)pyridine-3-carbonitrile;5-bromo-2-(2-methoxyethylamino)pyridine-3-carbonitrile

C25H28BrN7O2 — CID 159674175

IUPAC5-(5-amino-2-methylphenyl)-2-(2-methoxyethylamino)pyridine-3-carbonitrile;5-bromo-2-(2-methoxyethylamino)pyridine-3-carbonitrile
SMILESCOCCNc1ncc(-c2cc(N)ccc2C)cc1C#N.COCCNc1ncc(Br)cc1C#N
InChIInChI=1S/C16H18N4O.C9H10BrN3O/c1-11-3-4-14(18)8-15(11)13-7-12(9-17)16(20-10-13)19-5-6-21-2;1-14-3-2-12-9-7(5-11)4-8(10)6-13-9/h3-4,7-8,10H,5-6,18H2,1-2H3,(H,19,20);4,6H,2-3H2,1H3,(H,12,13)
InChIKeyMUJOAZGGLUHMIR-UHFFFAOYSA-N
MW538.45 g/mol
LogP4.34
Rot. Bonds9

About 5-(5-amino-2-methylphenyl)-2-(2-methoxyethylamino)pyridine-3-carbonitrile;5-bromo-2-(2-methoxyethylamino)pyridine-3-carbonitrile

5-(5-amino-2-methylphenyl)-2-(2-methoxyethylamino)pyridine-3-carbonitrile;5-bromo-2-(2-methoxyethylamino)pyridine-3-carbonitrile (PubChem CID 159674175) has the molecular formula C25H28BrN7O2 and a molecular weight of 538.45 g/mol. Its IUPAC name is 5-(5-amino-2-methylphenyl)-2-(2-methoxyethylamino)pyridine-3-carbonitrile;5-bromo-2-(2-methoxyethylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(5-amino-2-methylphenyl)-2-(2-methoxyethylamino)pyridine-3-carbonitrile;5-bromo-2-(2-methoxyethylamino)pyridine-3-carbonitrile
PubChem CID159674175
Molecular FormulaC25H28BrN7O2
Molecular Weight538.45 g/mol
Exact Mass537.15
IUPAC Name5-(5-amino-2-methylphenyl)-2-(2-methoxyethylamino)pyridine-3-carbonitrile;5-bromo-2-(2-methoxyethylamino)pyridine-3-carbonitrile
SMILESCOCCNc1ncc(-c2cc(N)ccc2C)cc1C#N.COCCNc1ncc(Br)cc1C#N
InChIInChI=1S/C16H18N4O.C9H10BrN3O/c1-11-3-4-14(18)8-15(11)13-7-12(9-17)16(20-10-13)19-5-6-21-2;1-14-3-2-12-9-7(5-11)4-8(10)6-13-9/h3-4,7-8,10H,5-6,18H2,1-2H3,(H,19,20);4,6H,2-3H2,1H3,(H,12,13)
InChIKeyMUJOAZGGLUHMIR-UHFFFAOYSA-N
XLogP4.34
TPSA141.90 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.45
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 5-(5-amino-2-methylphenyl)-2-(2-methoxyethylamino)pyridine-3-carbonitrile;5-bromo-2-(2-methoxyethylamino)pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(5-amino-2-methylphenyl)-2-(dimethylamino)pyridine-3-carbonitrile;5-bromo-2-(dimethylamino)pyridine-3-carbonitrile
CID 158413042
2-(2-methoxyethylamino)-5-pyridin-4-ylpyridine-3-carbonitrile
CID 70047401
5-(5-amino-2-methylphenyl)-2-(oxan-4-ylamino)pyridine-3-carbonitrile
CID 118946273
5-bromo-2-(3-methylbutylamino)pyridine-3-carbonitrile
CID 82341796
2-bromo-4-(2-methoxyethylamino)benzonitrile
CID 107275717
5-bromo-2-(tert-butylamino)pyridine-3-carbonitrile
CID 76847706
N-[3-[5-cyano-6-(propylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 130405161
N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)-1H-pyridazine-5-carboxamide
CID 162619064
5-amino-2-(2-hydroxyethylamino)pyridine-3-carbonitrile
CID 60922494
N-[2-(2-aminoethoxy)ethyl]-5-bromo-3-methylpyridin-2-amine
CID 79717746
2-(2-methoxyethylamino)-5-(4-methylphenyl)benzonitrile
CID 125454931
5-amino-2-(4-bromo-3-methylanilino)pyridine-3-carbonitrile
CID 54938559

Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-2-methylphenyl)-2-(2-methoxyethylamino)pyridine-3-carbonitrile;5-bromo-2-(2-methoxyethylamino)pyridine-3-carbonitrile?
The IUPAC name of 5-(5-amino-2-methylphenyl)-2-(2-methoxyethylamino)pyridine-3-carbonitrile;5-bromo-2-(2-methoxyethylamino)pyridine-3-carbonitrile (CID 159674175) is 5-(5-amino-2-methylphenyl)-2-(2-methoxyethylamino)pyridine-3-carbonitrile;5-bromo-2-(2-methoxyethylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 5-(5-amino-2-methylphenyl)-2-(2-methoxyethylamino)pyridine-3-carbonitrile;5-bromo-2-(2-methoxyethylamino)pyridine-3-carbonitrile?
The canonical SMILES for 5-(5-amino-2-methylphenyl)-2-(2-methoxyethylamino)pyridine-3-carbonitrile;5-bromo-2-(2-methoxyethylamino)pyridine-3-carbonitrile is COCCNc1ncc(-c2cc(N)ccc2C)cc1C#N.COCCNc1ncc(Br)cc1C#N.
What is the InChIKey of 5-(5-amino-2-methylphenyl)-2-(2-methoxyethylamino)pyridine-3-carbonitrile;5-bromo-2-(2-methoxyethylamino)pyridine-3-carbonitrile?
The InChIKey is MUJOAZGGLUHMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O.C9H10BrN3O/c1-11-3-4-14(18)8-15(11)13-7-12(9-17)16(20-10-13)19-5-6-21-2;1-14-3-2-12-9-7(5-11)4-8(10)6-13-9/h3-4,7-8,10H,5-6,18H2,1-2H3,(H,19,20);4,6H,2-3H2,1H3,(H,12,13).
What are the key properties of 5-(5-amino-2-methylphenyl)-2-(2-methoxyethylamino)pyridine-3-carbonitrile;5-bromo-2-(2-methoxyethylamino)pyridine-3-carbonitrile?
5-(5-amino-2-methylphenyl)-2-(2-methoxyethylamino)pyridine-3-carbonitrile;5-bromo-2-(2-methoxyethylamino)pyridine-3-carbonitrile has a molecular weight of 538.45 g/mol, XLogP of 4.34, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-2-methylphenyl)-2-(2-methoxyethylamino)pyridine-3-carbonitrile;5-bromo-2-(2-methoxyethylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 159674175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).