2-(3,4-dimethylanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide

C18H23N3O2 — CID 109167052

IUPAC2-(3,4-dimethylanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
SMILESCOCCCNC(=O)c1ccnc(Nc2ccc(C)c(C)c2)c1
InChIInChI=1S/C18H23N3O2/c1-13-5-6-16(11-14(13)2)21-17-12-15(7-9-19-17)18(22)20-8-4-10-23-3/h5-7,9,11-12H,4,8,10H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyBEUWMGJFOPGJJB-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.21
Rot. Bonds7

About 2-(3,4-dimethylanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide

2-(3,4-dimethylanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide (PubChem CID 109167052) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-(3,4-dimethylanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethylanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
PubChem CID109167052
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2-(3,4-dimethylanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
SMILESCOCCCNC(=O)c1ccnc(Nc2ccc(C)c(C)c2)c1
InChIInChI=1S/C18H23N3O2/c1-13-5-6-16(11-14(13)2)21-17-12-15(7-9-19-17)18(22)20-8-4-10-23-3/h5-7,9,11-12H,4,8,10H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyBEUWMGJFOPGJJB-UHFFFAOYSA-N
XLogP3.21
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3,4-dimethylanilino)-N-(3-methoxypropyl)pyridine-4-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-(3-methoxypropyl)-2-(3-methylanilino)pyridine-4-carboxamide
CID 109167047
2-(3-fluoroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167115
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167122
2-(3,4-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109172746
2-(2-methoxy-5-methylanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167087
2-(4-bromo-3-methylanilino)-N-pentylpyridine-4-carboxamide
CID 109175383
5-(3,4-dimethylanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228089
2-(2,6-dichloroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167135
2-(2,5-dimethoxyanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167090
N-(3-methoxypropyl)-2-(2-methyl-6-propan-2-ylanilino)pyridine-4-carboxamide
CID 109167064
N-(3-methoxypropyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyridine-4-carboxamide
CID 109167109
ethyl 4-[[4-(2-methoxyethylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109166844

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide?
The IUPAC name of 2-(3,4-dimethylanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide (CID 109167052) is 2-(3,4-dimethylanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(3,4-dimethylanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(3,4-dimethylanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide is COCCCNC(=O)c1ccnc(Nc2ccc(C)c(C)c2)c1.
What is the InChIKey of 2-(3,4-dimethylanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide?
The InChIKey is BEUWMGJFOPGJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13-5-6-16(11-14(13)2)21-17-12-15(7-9-19-17)18(22)20-8-4-10-23-3/h5-7,9,11-12H,4,8,10H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of 2-(3,4-dimethylanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide?
2-(3,4-dimethylanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide is sourced from PubChem (CID 109167052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).