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

C16H17Cl2N3O2 — CID 109167133

IUPAC2-(2,5-dichloroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
SMILESCOCCCNC(=O)c1ccnc(Nc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C16H17Cl2N3O2/c1-23-8-2-6-20-16(22)11-5-7-19-15(9-11)21-14-10-12(17)3-4-13(14)18/h3-5,7,9-10H,2,6,8H2,1H3,(H,19,21)(H,20,22)
InChIKeyPSRLNPVGUVIQGK-UHFFFAOYSA-N
MW354.24 g/mol
LogP3.90
Rot. Bonds7

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

2-(2,5-dichloroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide (PubChem CID 109167133) has the molecular formula C16H17Cl2N3O2 and a molecular weight of 354.24 g/mol. Its IUPAC name is 2-(2,5-dichloroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2,5-dichloroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
PubChem CID109167133
Molecular FormulaC16H17Cl2N3O2
Molecular Weight354.24 g/mol
Exact Mass353.07
IUPAC Name2-(2,5-dichloroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
SMILESCOCCCNC(=O)c1ccnc(Nc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C16H17Cl2N3O2/c1-23-8-2-6-20-16(22)11-5-7-19-15(9-11)21-14-10-12(17)3-4-13(14)18/h3-5,7,9-10H,2,6,8H2,1H3,(H,19,21)(H,20,22)
InChIKeyPSRLNPVGUVIQGK-UHFFFAOYSA-N
XLogP3.90
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-chloro-3-[[4-(3-methoxypropylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109167103
2-(2,6-dichloroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167135
methyl 4-chloro-3-[[4-(propylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109165073
2-(2,5-dimethoxyanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167090
4-N-(5-chloro-2-methylphenyl)-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082732
2-(2-methoxy-5-methylanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167087
2-(3,4-dimethylanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167052
N-(3-methoxypropyl)-2-(3-methylanilino)pyridine-4-carboxamide
CID 109167047
2-(2,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 109167767
N-[(4-chlorophenyl)methyl]-2-(3-methoxypropylamino)pyridine-4-carboxamide
CID 109167164
2-(3-fluoroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167115
2-(4-chloro-2,5-dimethoxyanilino)-N-pentylpyridine-4-carboxamide
CID 109175390

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichloroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide?
The IUPAC name of 2-(2,5-dichloroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide (CID 109167133) is 2-(2,5-dichloroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(2,5-dichloroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(2,5-dichloroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide is COCCCNC(=O)c1ccnc(Nc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 2-(2,5-dichloroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide?
The InChIKey is PSRLNPVGUVIQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O2/c1-23-8-2-6-20-16(22)11-5-7-19-15(9-11)21-14-10-12(17)3-4-13(14)18/h3-5,7,9-10H,2,6,8H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 2-(2,5-dichloroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide?
2-(2,5-dichloroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide has a molecular weight of 354.24 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichloroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide is sourced from PubChem (CID 109167133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).