2-N-butyl-4-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide

C18H20FN3O2 — CID 109079398

IUPAC2-N-butyl-4-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
SMILESCCCCNC(=O)c1cc(C(=O)NCc2ccc(F)cc2)ccn1
InChIInChI=1S/C18H20FN3O2/c1-2-3-9-21-18(24)16-11-14(8-10-20-16)17(23)22-12-13-4-6-15(19)7-5-13/h4-8,10-11H,2-3,9,12H2,1H3,(H,21,24)(H,22,23)
InChIKeyCLXCNWYDMOWFNQ-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.68
Rot. Bonds7

About 2-N-butyl-4-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide

2-N-butyl-4-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide (PubChem CID 109079398) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-N-butyl-4-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-butyl-4-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
PubChem CID109079398
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name2-N-butyl-4-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
SMILESCCCCNC(=O)c1cc(C(=O)NCc2ccc(F)cc2)ccn1
InChIInChI=1S/C18H20FN3O2/c1-2-3-9-21-18(24)16-11-14(8-10-20-16)17(23)22-12-13-4-6-15(19)7-5-13/h4-8,10-11H,2-3,9,12H2,1H3,(H,21,24)(H,22,23)
InChIKeyCLXCNWYDMOWFNQ-UHFFFAOYSA-N
XLogP2.68
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.68
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

4-N-[2-(4-fluorophenyl)ethyl]-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086566
4-N-benzyl-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085281
4-N-[(4-methoxyphenyl)methyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109086884
2-N-[2-(4-fluorophenyl)ethyl]-4-N-propylpyridine-2,4-dicarboxamide
CID 109077658
4-N-butyl-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109079208
4-N-[(4-fluorophenyl)methyl]-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109086488
4-N-[(2-fluorophenyl)methyl]-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086328
2-N-[(4-methoxyphenyl)methyl]-4-N-propylpyridine-2,4-dicarboxamide
CID 109077649
N-[(4-fluorophenyl)methyl]-4-(propylamino)pyridine-2-carboxamide
CID 62167261
2-N-[(3,4-dimethoxyphenyl)methyl]-4-N-pentylpyridine-2,4-dicarboxamide
CID 109088557
2-N-butyl-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109079380
2-N-butyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109079379

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-4-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-butyl-4-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide (CID 109079398) is 2-N-butyl-4-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-butyl-4-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-butyl-4-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide is CCCCNC(=O)c1cc(C(=O)NCc2ccc(F)cc2)ccn1.
What is the InChIKey of 2-N-butyl-4-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide?
The InChIKey is CLXCNWYDMOWFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-2-3-9-21-18(24)16-11-14(8-10-20-16)17(23)22-12-13-4-6-15(19)7-5-13/h4-8,10-11H,2-3,9,12H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 2-N-butyl-4-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide?
2-N-butyl-4-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide has a molecular weight of 329.38 g/mol, XLogP of 2.68, 7 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-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109079398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).