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

C17H20ClN3O3 — CID 109184305

IUPAC5-(3-chloro-4-methoxyanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
SMILESCOCCCNC(=O)c1ccc(Nc2ccc(OC)c(Cl)c2)cn1
InChIInChI=1S/C17H20ClN3O3/c1-23-9-3-8-19-17(22)15-6-4-13(11-20-15)21-12-5-7-16(24-2)14(18)10-12/h4-7,10-11,21H,3,8-9H2,1-2H3,(H,19,22)
InChIKeyJJWAXYSTIBEQEG-UHFFFAOYSA-N
MW349.82 g/mol
LogP3.25
Rot. Bonds8

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

5-(3-chloro-4-methoxyanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide (PubChem CID 109184305) has the molecular formula C17H20ClN3O3 and a molecular weight of 349.82 g/mol. Its IUPAC name is 5-(3-chloro-4-methoxyanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-chloro-4-methoxyanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
PubChem CID109184305
Molecular FormulaC17H20ClN3O3
Molecular Weight349.82 g/mol
Exact Mass349.12
IUPAC Name5-(3-chloro-4-methoxyanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
SMILESCOCCCNC(=O)c1ccc(Nc2ccc(OC)c(Cl)c2)cn1
InChIInChI=1S/C17H20ClN3O3/c1-23-9-3-8-19-17(22)15-6-4-13(11-20-15)21-12-5-7-16(24-2)14(18)10-12/h4-7,10-11,21H,3,8-9H2,1-2H3,(H,19,22)
InChIKeyJJWAXYSTIBEQEG-UHFFFAOYSA-N
XLogP3.25
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(4-chloro-2,5-dimethoxyanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184365
5-(3-chloro-4-methylanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183935
4-(3-chloro-4-methoxyanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109205769
5-(4-bromoanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184307
5-(3-bromoanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184344
N-(3-methoxypropyl)-5-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109184195
5-(3-chloro-4-methoxyanilino)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109199601
5-(3-chloro-4-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109186013
N-(3-chloro-4-methoxyphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276313
N-pentyl-5-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
CID 109195799
2-(3-chloro-4-methoxyanilino)-N-(3-methoxypropyl)acetamide
CID 54819347
N-butyl-6-(3-chloro-4-methoxyanilino)pyrimidine-4-carboxamide
CID 109340122

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-methoxyanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide?
The IUPAC name of 5-(3-chloro-4-methoxyanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide (CID 109184305) is 5-(3-chloro-4-methoxyanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-chloro-4-methoxyanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(3-chloro-4-methoxyanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide is COCCCNC(=O)c1ccc(Nc2ccc(OC)c(Cl)c2)cn1.
What is the InChIKey of 5-(3-chloro-4-methoxyanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide?
The InChIKey is JJWAXYSTIBEQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3/c1-23-9-3-8-19-17(22)15-6-4-13(11-20-15)21-12-5-7-16(24-2)14(18)10-12/h4-7,10-11,21H,3,8-9H2,1-2H3,(H,19,22).
What are the key properties of 5-(3-chloro-4-methoxyanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide?
5-(3-chloro-4-methoxyanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide has a molecular weight of 349.82 g/mol, XLogP of 3.25, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-methoxyanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide is sourced from PubChem (CID 109184305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).