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

C17H21N3O2 — CID 109228264

IUPAC5-(3-methoxypropylamino)-N-(4-methylphenyl)pyridine-3-carboxamide
SMILESCOCCCNc1cncc(C(=O)Nc2ccc(C)cc2)c1
InChIInChI=1S/C17H21N3O2/c1-13-4-6-15(7-5-13)20-17(21)14-10-16(12-18-11-14)19-8-3-9-22-2/h4-7,10-12,19H,3,8-9H2,1-2H3,(H,20,21)
InChIKeyOBFDMMFXMTWDNW-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.09
Rot. Bonds7

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

5-(3-methoxypropylamino)-N-(4-methylphenyl)pyridine-3-carboxamide (PubChem CID 109228264) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 5-(3-methoxypropylamino)-N-(4-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3-methoxypropylamino)-N-(4-methylphenyl)pyridine-3-carboxamide
PubChem CID109228264
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name5-(3-methoxypropylamino)-N-(4-methylphenyl)pyridine-3-carboxamide
SMILESCOCCCNc1cncc(C(=O)Nc2ccc(C)cc2)c1
InChIInChI=1S/C17H21N3O2/c1-13-4-6-15(7-5-13)20-17(21)14-10-16(12-18-11-14)19-8-3-9-22-2/h4-7,10-12,19H,3,8-9H2,1-2H3,(H,20,21)
InChIKeyOBFDMMFXMTWDNW-UHFFFAOYSA-N
XLogP3.09
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(3-methoxypropylamino)-N-(4-methylphenyl)pyridine-3-carboxamide 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

N-(4-bromo-2-methylphenyl)-5-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109228337
5-(3-methoxypropylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 109223169
N-[4-(dimethylamino)phenyl]-5-(2-methoxyethylamino)pyridine-3-carboxamide
CID 109227960
5-(butylamino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109224662
N-(2-methoxyphenyl)-5-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109228300
5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109237774
N-(2,5-dimethoxyphenyl)-5-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109228308
5-N-(4-fluorophenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
CID 109103654
5-[2-(4-chlorophenyl)ethylamino]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109237845
N-(3-methoxypropyl)-5-(pentylamino)pyridine-3-carboxamide
CID 109228070
N-butan-2-yl-5-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109225122
5-methyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 143173797

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxypropylamino)-N-(4-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(3-methoxypropylamino)-N-(4-methylphenyl)pyridine-3-carboxamide (CID 109228264) is 5-(3-methoxypropylamino)-N-(4-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(3-methoxypropylamino)-N-(4-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(3-methoxypropylamino)-N-(4-methylphenyl)pyridine-3-carboxamide is COCCCNc1cncc(C(=O)Nc2ccc(C)cc2)c1.
What is the InChIKey of 5-(3-methoxypropylamino)-N-(4-methylphenyl)pyridine-3-carboxamide?
The InChIKey is OBFDMMFXMTWDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-13-4-6-15(7-5-13)20-17(21)14-10-16(12-18-11-14)19-8-3-9-22-2/h4-7,10-12,19H,3,8-9H2,1-2H3,(H,20,21).
What are the key properties of 5-(3-methoxypropylamino)-N-(4-methylphenyl)pyridine-3-carboxamide?
5-(3-methoxypropylamino)-N-(4-methylphenyl)pyridine-3-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxypropylamino)-N-(4-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109228264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).