2-(2,5-dimethoxyanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide

C18H23N3O4 — CID 109167090

IUPAC2-(2,5-dimethoxyanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
SMILESCOCCCNC(=O)c1ccnc(Nc2cc(OC)ccc2OC)c1
InChIInChI=1S/C18H23N3O4/c1-23-10-4-8-20-18(22)13-7-9-19-17(11-13)21-15-12-14(24-2)5-6-16(15)25-3/h5-7,9,11-12H,4,8,10H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyRCZXHMUMJGBKJR-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.61
Rot. Bonds9

About 2-(2,5-dimethoxyanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide

2-(2,5-dimethoxyanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide (PubChem CID 109167090) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-(2,5-dimethoxyanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2,5-dimethoxyanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
PubChem CID109167090
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name2-(2,5-dimethoxyanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
SMILESCOCCCNC(=O)c1ccnc(Nc2cc(OC)ccc2OC)c1
InChIInChI=1S/C18H23N3O4/c1-23-10-4-8-20-18(22)13-7-9-19-17(11-13)21-15-12-14(24-2)5-6-16(15)25-3/h5-7,9,11-12H,4,8,10H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyRCZXHMUMJGBKJR-UHFFFAOYSA-N
XLogP2.61
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(2,5-dimethoxyanilino)-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

2-(2-methoxy-5-methylanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167087
N-[(2-chlorophenyl)methyl]-2-(2,5-dimethoxyanilino)pyridine-4-carboxamide
CID 109170764
2-(3,4-dimethylanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167052
2-(2,5-dichloroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167133
methyl 4-chloro-3-[[4-(3-methoxypropylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109167103
4-N-(2,5-dimethoxyphenyl)-2-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886297
2-N-(2-methoxyphenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082586
2-(4-chloro-2,5-dimethoxyanilino)-N-pentylpyridine-4-carboxamide
CID 109175390
2-(2,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 109174915
2-(3-methoxyanilino)-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 109166806
2-(2,6-dichloroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167135
N-benzyl-2-(2,5-dimethoxyanilino)-N-methylpyridine-4-carboxamide
CID 109170260

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide?
The IUPAC name of 2-(2,5-dimethoxyanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide (CID 109167090) is 2-(2,5-dimethoxyanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(2,5-dimethoxyanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(2,5-dimethoxyanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide is COCCCNC(=O)c1ccnc(Nc2cc(OC)ccc2OC)c1.
What is the InChIKey of 2-(2,5-dimethoxyanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide?
The InChIKey is RCZXHMUMJGBKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-23-10-4-8-20-18(22)13-7-9-19-17(11-13)21-15-12-14(24-2)5-6-16(15)25-3/h5-7,9,11-12H,4,8,10H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of 2-(2,5-dimethoxyanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide?
2-(2,5-dimethoxyanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 2.61, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide is sourced from PubChem (CID 109167090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).