3-N-butyl-5-N-(2-fluorophenyl)pyridine-3,5-dicarboxamide

C17H18FN3O2 — CID 109102018

IUPAC3-N-butyl-5-N-(2-fluorophenyl)pyridine-3,5-dicarboxamide
SMILESCCCCNC(=O)c1cncc(C(=O)Nc2ccccc2F)c1
InChIInChI=1S/C17H18FN3O2/c1-2-3-8-20-16(22)12-9-13(11-19-10-12)17(23)21-15-7-5-4-6-14(15)18/h4-7,9-11H,2-3,8H2,1H3,(H,20,22)(H,21,23)
InChIKeyYMYOCJYCRBQHMD-UHFFFAOYSA-N
MW315.35 g/mol
LogP3.00
Rot. Bonds6

About 3-N-butyl-5-N-(2-fluorophenyl)pyridine-3,5-dicarboxamide

3-N-butyl-5-N-(2-fluorophenyl)pyridine-3,5-dicarboxamide (PubChem CID 109102018) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is 3-N-butyl-5-N-(2-fluorophenyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-butyl-5-N-(2-fluorophenyl)pyridine-3,5-dicarboxamide
PubChem CID109102018
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name3-N-butyl-5-N-(2-fluorophenyl)pyridine-3,5-dicarboxamide
SMILESCCCCNC(=O)c1cncc(C(=O)Nc2ccccc2F)c1
InChIInChI=1S/C17H18FN3O2/c1-2-3-8-20-16(22)12-9-13(11-19-10-12)17(23)21-15-7-5-4-6-14(15)18/h4-7,9-11H,2-3,8H2,1H3,(H,20,22)(H,21,23)
InChIKeyYMYOCJYCRBQHMD-UHFFFAOYSA-N
XLogP3.00
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-N-(2-fluorophenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
CID 109103653
5-(butylamino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109224645
3-N-butyl-5-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109102007
N-(2-fluorophenyl)-5-(propylamino)pyridine-3-carboxamide
CID 109223073
5-N-(2-fluorophenyl)-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109106222
5-[butyl(methyl)amino]-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109240389
3-N-butyl-5-N-(3-chloro-2-methylphenyl)pyridine-3,5-dicarboxamide
CID 109102023
3-N-butyl-5-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 109102080
5-N-(2-chlorophenyl)-3-N-propylpyridine-3,5-dicarboxamide
CID 109101245
5-(2-fluoroanilino)-N-propylpyridine-3-carboxamide
CID 109222874
ethyl 2-[[5-(pentylcarbamoyl)pyridine-3-carbonyl]amino]benzoate
CID 109107303
5-N-(2-ethylphenyl)-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105539

Frequently Asked Questions

What is the IUPAC name of 3-N-butyl-5-N-(2-fluorophenyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-butyl-5-N-(2-fluorophenyl)pyridine-3,5-dicarboxamide (CID 109102018) is 3-N-butyl-5-N-(2-fluorophenyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-butyl-5-N-(2-fluorophenyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-butyl-5-N-(2-fluorophenyl)pyridine-3,5-dicarboxamide is CCCCNC(=O)c1cncc(C(=O)Nc2ccccc2F)c1.
What is the InChIKey of 3-N-butyl-5-N-(2-fluorophenyl)pyridine-3,5-dicarboxamide?
The InChIKey is YMYOCJYCRBQHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c1-2-3-8-20-16(22)12-9-13(11-19-10-12)17(23)21-15-7-5-4-6-14(15)18/h4-7,9-11H,2-3,8H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 3-N-butyl-5-N-(2-fluorophenyl)pyridine-3,5-dicarboxamide?
3-N-butyl-5-N-(2-fluorophenyl)pyridine-3,5-dicarboxamide has a molecular weight of 315.35 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-butyl-5-N-(2-fluorophenyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109102018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).