2-N-butyl-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide

C17H18FN3O2 — CID 109079525

IUPAC2-N-butyl-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
SMILESCCCCNC(=O)c1cc(C(=O)Nc2cccc(F)c2)ccn1
InChIInChI=1S/C17H18FN3O2/c1-2-3-8-20-17(23)15-10-12(7-9-19-15)16(22)21-14-6-4-5-13(18)11-14/h4-7,9-11H,2-3,8H2,1H3,(H,20,23)(H,21,22)
InChIKeyUPSZWPOXGROKJU-UHFFFAOYSA-N
MW315.35 g/mol
LogP3.00
Rot. Bonds6

About 2-N-butyl-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide

2-N-butyl-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide (PubChem CID 109079525) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is 2-N-butyl-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-butyl-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
PubChem CID109079525
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name2-N-butyl-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
SMILESCCCCNC(=O)c1cc(C(=O)Nc2cccc(F)c2)ccn1
InChIInChI=1S/C17H18FN3O2/c1-2-3-8-20-17(23)15-10-12(7-9-19-15)16(22)21-14-6-4-5-13(18)11-14/h4-7,9-11H,2-3,8H2,1H3,(H,20,23)(H,21,22)
InChIKeyUPSZWPOXGROKJU-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

2-N-pentyl-4-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109089898
2-N-(3-fluorophenyl)-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091177
4-N,4-N-diethyl-2-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109088860
2-N-butyl-4-N-(4-tert-butylphenyl)pyridine-2,4-dicarboxamide
CID 109079477
4-N-(3,5-dimethylphenyl)-2-N-pentylpyridine-2,4-dicarboxamide
CID 109089858
2-N-cyclopropyl-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109078757
N-(3-fluorophenyl)-2-(propylamino)pyridine-4-carboxamide
CID 62166192
4-N-butyl-2-N-(3,4-dichlorophenyl)pyridine-2,4-dicarboxamide
CID 109079353
2-N-(4-acetylphenyl)-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109093206
2-N-(3,4-difluorophenyl)-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109093279
methyl 3-[[2-(propylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
CID 109077959
2-N-ethyl-4-N-(3-fluorophenyl)-2-N-phenylpyridine-2,4-dicarboxamide
CID 109092385

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-butyl-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide (CID 109079525) is 2-N-butyl-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-butyl-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-butyl-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide is CCCCNC(=O)c1cc(C(=O)Nc2cccc(F)c2)ccn1.
What is the InChIKey of 2-N-butyl-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide?
The InChIKey is UPSZWPOXGROKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c1-2-3-8-20-17(23)15-10-12(7-9-19-15)16(22)21-14-6-4-5-13(18)11-14/h4-7,9-11H,2-3,8H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 2-N-butyl-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide?
2-N-butyl-4-N-(3-fluorophenyl)pyridine-2,4-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 2-N-butyl-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109079525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).