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

C18H20FN3O2 — CID 109079208

IUPAC4-N-butyl-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
SMILESCCCCNC(=O)c1ccnc(C(=O)NCc2ccccc2F)c1
InChIInChI=1S/C18H20FN3O2/c1-2-3-9-21-17(23)13-8-10-20-16(11-13)18(24)22-12-14-6-4-5-7-15(14)19/h4-8,10-11H,2-3,9,12H2,1H3,(H,21,23)(H,22,24)
InChIKeyADYYOCCBSCYRBR-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.68
Rot. Bonds7

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

4-N-butyl-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide (PubChem CID 109079208) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 4-N-butyl-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-butyl-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
PubChem CID109079208
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name4-N-butyl-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
SMILESCCCCNC(=O)c1ccnc(C(=O)NCc2ccccc2F)c1
InChIInChI=1S/C18H20FN3O2/c1-2-3-9-21-17(23)13-8-10-20-16(11-13)18(24)22-12-14-6-4-5-7-15(14)19/h4-8,10-11H,2-3,9,12H2,1H3,(H,21,23)(H,22,24)
InChIKeyADYYOCCBSCYRBR-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

2-N-[3-(dimethylamino)propyl]-4-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109084012
4-N-butyl-2-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109079203
4-N-[2-(2-fluorophenyl)ethyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109087942
4-N-[(2-fluorophenyl)methyl]-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109086345
4-N-[(2-methylphenyl)methyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109085533
4-N-[2-(dimethylamino)ethyl]-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109083406
1-N-butyl-3-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109051080
N-butyl-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide
CID 109165416
2-N-[(2-chlorophenyl)methyl]-4-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086329
1-N-butyl-4-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109043672
2-N-butyl-4-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109079398
4-N-[(2-fluorophenyl)methyl]-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086328

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-butyl-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide (CID 109079208) is 4-N-butyl-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-butyl-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-butyl-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide is CCCCNC(=O)c1ccnc(C(=O)NCc2ccccc2F)c1.
What is the InChIKey of 4-N-butyl-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide?
The InChIKey is ADYYOCCBSCYRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-2-3-9-21-17(23)13-8-10-20-16(11-13)18(24)22-12-14-6-4-5-7-15(14)19/h4-8,10-11H,2-3,9,12H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 4-N-butyl-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide?
4-N-butyl-2-N-[(2-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 4-N-butyl-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109079208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).