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

C16H17Cl2N3O2 — CID 109228170

IUPAC5-(2,4-dichloroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
SMILESCOCCCNC(=O)c1cncc(Nc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C16H17Cl2N3O2/c1-23-6-2-5-20-16(22)11-7-13(10-19-9-11)21-15-4-3-12(17)8-14(15)18/h3-4,7-10,21H,2,5-6H2,1H3,(H,20,22)
InChIKeyZTAUVBAVIPCBHJ-UHFFFAOYSA-N
MW354.24 g/mol
LogP3.90
Rot. Bonds7

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

5-(2,4-dichloroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide (PubChem CID 109228170) has the molecular formula C16H17Cl2N3O2 and a molecular weight of 354.24 g/mol. Its IUPAC name is 5-(2,4-dichloroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2,4-dichloroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
PubChem CID109228170
Molecular FormulaC16H17Cl2N3O2
Molecular Weight354.24 g/mol
Exact Mass353.07
IUPAC Name5-(2,4-dichloroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
SMILESCOCCCNC(=O)c1cncc(Nc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C16H17Cl2N3O2/c1-23-6-2-5-20-16(22)11-7-13(10-19-9-11)21-15-4-3-12(17)8-14(15)18/h3-4,7-10,21H,2,5-6H2,1H3,(H,20,22)
InChIKeyZTAUVBAVIPCBHJ-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

5-(2,4-dichloroanilino)-N-propylpyridine-3-carboxamide
CID 109222941
5-(4-chloro-2-methylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227744
5-(4-chloro-2,5-dimethoxyanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228175
5-[(4-chlorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228025
5-(3,4-difluoroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228185
5-(2,5-dichloroanilino)-N-pentylpyridine-3-carboxamide
CID 109240111
5-(3,4-dimethylanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228089
N-(3-methoxypropyl)-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109228125
N-(3-methoxypropyl)-5-(2-phenoxyanilino)pyridine-3-carboxamide
CID 109228165
5-N-(2,4-dichlorophenyl)-3-N-pentylpyridine-3,5-dicarboxamide
CID 109107296
methyl 3-[[5-(3-methoxypropylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109228138
N-(3-methoxypropyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109228132

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichloroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide?
The IUPAC name of 5-(2,4-dichloroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide (CID 109228170) is 5-(2,4-dichloroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(2,4-dichloroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(2,4-dichloroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide is COCCCNC(=O)c1cncc(Nc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 5-(2,4-dichloroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide?
The InChIKey is ZTAUVBAVIPCBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O2/c1-23-6-2-5-20-16(22)11-7-13(10-19-9-11)21-15-4-3-12(17)8-14(15)18/h3-4,7-10,21H,2,5-6H2,1H3,(H,20,22).
What are the key properties of 5-(2,4-dichloroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide?
5-(2,4-dichloroanilino)-N-(3-methoxypropyl)pyridine-3-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 5-(2,4-dichloroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide is sourced from PubChem (CID 109228170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).