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

C16H17Cl2N3O2 — CID 109153423

IUPAC6-(2,6-dichloroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
SMILESCOCCCNC(=O)c1ccc(Nc2c(Cl)cccc2Cl)nc1
InChIInChI=1S/C16H17Cl2N3O2/c1-23-9-3-8-19-16(22)11-6-7-14(20-10-11)21-15-12(17)4-2-5-13(15)18/h2,4-7,10H,3,8-9H2,1H3,(H,19,22)(H,20,21)
InChIKeyPIQFHORVNRJEAX-UHFFFAOYSA-N
MW354.24 g/mol
LogP3.90
Rot. Bonds7

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

6-(2,6-dichloroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide (PubChem CID 109153423) has the molecular formula C16H17Cl2N3O2 and a molecular weight of 354.24 g/mol. Its IUPAC name is 6-(2,6-dichloroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2,6-dichloroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
PubChem CID109153423
Molecular FormulaC16H17Cl2N3O2
Molecular Weight354.24 g/mol
Exact Mass353.07
IUPAC Name6-(2,6-dichloroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
SMILESCOCCCNC(=O)c1ccc(Nc2c(Cl)cccc2Cl)nc1
InChIInChI=1S/C16H17Cl2N3O2/c1-23-9-3-8-19-16(22)11-6-7-14(20-10-11)21-15-12(17)4-2-5-13(15)18/h2,4-7,10H,3,8-9H2,1H3,(H,19,22)(H,20,21)
InChIKeyPIQFHORVNRJEAX-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-methoxypropyl)pyridine-4-carboxamide
CID 109167135
6-(2-fluoroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153355
methyl 3-[[5-(3-methoxypropylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109153389
N-(3-methoxypropyl)-6-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109153376
6-[4-chloro-3-(trifluoromethyl)anilino]-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153417
6-[2,6-di(propan-2-yl)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109153085
6-(2-ethoxyanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153373
6-(butylamino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109151550
N-(3-methoxypropyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109153277
6-(cycloheptylamino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153322
N-(3-methoxypropyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109153274
6-(2,6-dichloroanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide
CID 109114069

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichloroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide?
The IUPAC name of 6-(2,6-dichloroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide (CID 109153423) is 6-(2,6-dichloroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(2,6-dichloroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(2,6-dichloroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide is COCCCNC(=O)c1ccc(Nc2c(Cl)cccc2Cl)nc1.
What is the InChIKey of 6-(2,6-dichloroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide?
The InChIKey is PIQFHORVNRJEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O2/c1-23-9-3-8-19-16(22)11-6-7-14(20-10-11)21-15-12(17)4-2-5-13(15)18/h2,4-7,10H,3,8-9H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 6-(2,6-dichloroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide?
6-(2,6-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 6-(2,6-dichloroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide is sourced from PubChem (CID 109153423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).