2-(2,6-dichloroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide

C16H17Cl2N3O2 — CID 109167135

IUPAC2-(2,6-dichloroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
SMILESCOCCCNC(=O)c1ccnc(Nc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C16H17Cl2N3O2/c1-23-9-3-7-20-16(22)11-6-8-19-14(10-11)21-15-12(17)4-2-5-13(15)18/h2,4-6,8,10H,3,7,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyIACYFQXPPURJGJ-UHFFFAOYSA-N
MW354.24 g/mol
LogP3.90
Rot. Bonds7

About 2-(2,6-dichloroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide

2-(2,6-dichloroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide (PubChem CID 109167135) has the molecular formula C16H17Cl2N3O2 and a molecular weight of 354.24 g/mol. Its IUPAC name is 2-(2,6-dichloroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-dichloroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
PubChem CID109167135
Molecular FormulaC16H17Cl2N3O2
Molecular Weight354.24 g/mol
Exact Mass353.07
IUPAC Name2-(2,6-dichloroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
SMILESCOCCCNC(=O)c1ccnc(Nc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C16H17Cl2N3O2/c1-23-9-3-7-20-16(22)11-6-8-19-14(10-11)21-15-12(17)4-2-5-13(15)18/h2,4-6,8,10H,3,7,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyIACYFQXPPURJGJ-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

2-(2,6-dichloroanilino)-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 109168292
6-(2,6-dichloroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153423
2-(2,5-dichloroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167133
N-(3-methoxypropyl)-2-(2-methyl-6-propan-2-ylanilino)pyridine-4-carboxamide
CID 109167064
N-(3-methoxypropyl)-2-(3-methylanilino)pyridine-4-carboxamide
CID 109167047
methyl 4-chloro-3-[[4-(3-methoxypropylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109167103
2-(3-fluoroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167115
2-(3,4-dimethylanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167052
2-N-(2,3-dichlorophenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082627
2-(2-ethyl-6-methylanilino)-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 109166794
2-(2-methoxy-5-methylanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167087
2-(2,5-dimethoxyanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167090

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide?
The IUPAC name of 2-(2,6-dichloroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide (CID 109167135) is 2-(2,6-dichloroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(2,6-dichloroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(2,6-dichloroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide is COCCCNC(=O)c1ccnc(Nc2c(Cl)cccc2Cl)c1.
What is the InChIKey of 2-(2,6-dichloroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide?
The InChIKey is IACYFQXPPURJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O2/c1-23-9-3-7-20-16(22)11-6-8-19-14(10-11)21-15-12(17)4-2-5-13(15)18/h2,4-6,8,10H,3,7,9H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 2-(2,6-dichloroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide?
2-(2,6-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-(2,6-dichloroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide is sourced from PubChem (CID 109167135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).