5-(3,4-difluoroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide

C16H17F2N3O2 — CID 109228185

IUPAC5-(3,4-difluoroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
SMILESCOCCCNC(=O)c1cncc(Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C16H17F2N3O2/c1-23-6-2-5-20-16(22)11-7-13(10-19-9-11)21-12-3-4-14(17)15(18)8-12/h3-4,7-10,21H,2,5-6H2,1H3,(H,20,22)
InChIKeyJTJPKIKUNPVYGZ-UHFFFAOYSA-N
MW321.33 g/mol
LogP2.87
Rot. Bonds7

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

5-(3,4-difluoroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide (PubChem CID 109228185) has the molecular formula C16H17F2N3O2 and a molecular weight of 321.33 g/mol. Its IUPAC name is 5-(3,4-difluoroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3,4-difluoroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
PubChem CID109228185
Molecular FormulaC16H17F2N3O2
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Name5-(3,4-difluoroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
SMILESCOCCCNC(=O)c1cncc(Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C16H17F2N3O2/c1-23-6-2-5-20-16(22)11-7-13(10-19-9-11)21-12-3-4-14(17)15(18)8-12/h3-4,7-10,21H,2,5-6H2,1H3,(H,20,22)
InChIKeyJTJPKIKUNPVYGZ-UHFFFAOYSA-N
XLogP2.87
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(3,4-difluoroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3,4-dimethylanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228089
N-(3-methoxypropyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109228132
methyl 3-[[5-(3-methoxypropylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109228138
5-(2,4-dichloroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228170
5-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228022
5-N-(4-fluorophenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
CID 109103654
N-butyl-5-(3-chloro-4-fluoroanilino)pyridine-3-carboxamide
CID 109224461
5-[(4-chlorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228025
N-(3-methoxypropyl)-5-(pentylamino)pyridine-3-carboxamide
CID 109228070
5-(3,4-difluoroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 109237922
5-N-(2,6-difluorophenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
CID 109103717
5-N-(2-fluorophenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
CID 109103653

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluoroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide?
The IUPAC name of 5-(3,4-difluoroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide (CID 109228185) is 5-(3,4-difluoroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(3,4-difluoroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(3,4-difluoroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide is COCCCNC(=O)c1cncc(Nc2ccc(F)c(F)c2)c1.
What is the InChIKey of 5-(3,4-difluoroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide?
The InChIKey is JTJPKIKUNPVYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O2/c1-23-6-2-5-20-16(22)11-7-13(10-19-9-11)21-12-3-4-14(17)15(18)8-12/h3-4,7-10,21H,2,5-6H2,1H3,(H,20,22).
What are the key properties of 5-(3,4-difluoroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide?
5-(3,4-difluoroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide has a molecular weight of 321.33 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluoroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide is sourced from PubChem (CID 109228185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).