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

C18H22ClN3O4 — CID 109228175

IUPAC5-(4-chloro-2,5-dimethoxyanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
SMILESCOCCCNC(=O)c1cncc(Nc2cc(OC)c(Cl)cc2OC)c1
InChIInChI=1S/C18H22ClN3O4/c1-24-6-4-5-21-18(23)12-7-13(11-20-10-12)22-15-9-16(25-2)14(19)8-17(15)26-3/h7-11,22H,4-6H2,1-3H3,(H,21,23)
InChIKeyPUWVMOYSFHJXFI-UHFFFAOYSA-N
MW379.84 g/mol
LogP3.26
Rot. Bonds9

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

5-(4-chloro-2,5-dimethoxyanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide (PubChem CID 109228175) has the molecular formula C18H22ClN3O4 and a molecular weight of 379.84 g/mol. Its IUPAC name is 5-(4-chloro-2,5-dimethoxyanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chloro-2,5-dimethoxyanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
PubChem CID109228175
Molecular FormulaC18H22ClN3O4
Molecular Weight379.84 g/mol
Exact Mass379.13
IUPAC Name5-(4-chloro-2,5-dimethoxyanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
SMILESCOCCCNC(=O)c1cncc(Nc2cc(OC)c(Cl)cc2OC)c1
InChIInChI=1S/C18H22ClN3O4/c1-24-6-4-5-21-18(23)12-7-13(11-20-10-12)22-15-9-16(25-2)14(19)8-17(15)26-3/h7-11,22H,4-6H2,1-3H3,(H,21,23)
InChIKeyPUWVMOYSFHJXFI-UHFFFAOYSA-N
XLogP3.26
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.84
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-(4-chloro-2,5-dimethoxyanilino)-N-(3-methoxypropyl)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-butyl-5-(4-chloro-2,5-dimethoxyanilino)pyridine-3-carboxamide
CID 109224522
5-(4-chloro-2,5-dimethoxyanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184365
5-(2,4-dichloroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228170
5-(4-chloro-2,5-dimethoxyanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109235620
3-N-butyl-5-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3,5-dicarboxamide
CID 109102088
5-(3,4-dimethylanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228089
2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide
CID 109251840
N-(3-methoxypropyl)-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109228125
N-(3-methoxypropyl)-5-(2-phenoxyanilino)pyridine-3-carboxamide
CID 109228165
2-(4-chloro-2,5-dimethoxyanilino)-N-(3-methoxypropyl)acetamide
CID 60652992
5-[2-(2-methoxyphenyl)ethylamino]-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228037
5-(4-chloro-2-methoxy-5-methylanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 109232606

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2,5-dimethoxyanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide?
The IUPAC name of 5-(4-chloro-2,5-dimethoxyanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide (CID 109228175) is 5-(4-chloro-2,5-dimethoxyanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-chloro-2,5-dimethoxyanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(4-chloro-2,5-dimethoxyanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide is COCCCNC(=O)c1cncc(Nc2cc(OC)c(Cl)cc2OC)c1.
What is the InChIKey of 5-(4-chloro-2,5-dimethoxyanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide?
The InChIKey is PUWVMOYSFHJXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O4/c1-24-6-4-5-21-18(23)12-7-13(11-20-10-12)22-15-9-16(25-2)14(19)8-17(15)26-3/h7-11,22H,4-6H2,1-3H3,(H,21,23).
What are the key properties of 5-(4-chloro-2,5-dimethoxyanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide?
5-(4-chloro-2,5-dimethoxyanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide has a molecular weight of 379.84 g/mol, XLogP of 3.26, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2,5-dimethoxyanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide is sourced from PubChem (CID 109228175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).