2-N-(2,6-difluorophenyl)-4-N-pentylpyridine-2,4-dicarboxamide

C18H19F2N3O2 — CID 109089838

IUPAC2-N-(2,6-difluorophenyl)-4-N-pentylpyridine-2,4-dicarboxamide
SMILESCCCCCNC(=O)c1ccnc(C(=O)Nc2c(F)cccc2F)c1
InChIInChI=1S/C18H19F2N3O2/c1-2-3-4-9-22-17(24)12-8-10-21-15(11-12)18(25)23-16-13(19)6-5-7-14(16)20/h5-8,10-11H,2-4,9H2,1H3,(H,22,24)(H,23,25)
InChIKeyUZUXRVPEHASXHA-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.53
Rot. Bonds7

About 2-N-(2,6-difluorophenyl)-4-N-pentylpyridine-2,4-dicarboxamide

2-N-(2,6-difluorophenyl)-4-N-pentylpyridine-2,4-dicarboxamide (PubChem CID 109089838) has the molecular formula C18H19F2N3O2 and a molecular weight of 347.37 g/mol. Its IUPAC name is 2-N-(2,6-difluorophenyl)-4-N-pentylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(2,6-difluorophenyl)-4-N-pentylpyridine-2,4-dicarboxamide
PubChem CID109089838
Molecular FormulaC18H19F2N3O2
Molecular Weight347.37 g/mol
Exact Mass347.14
IUPAC Name2-N-(2,6-difluorophenyl)-4-N-pentylpyridine-2,4-dicarboxamide
SMILESCCCCCNC(=O)c1ccnc(C(=O)Nc2c(F)cccc2F)c1
InChIInChI=1S/C18H19F2N3O2/c1-2-3-4-9-22-17(24)12-8-10-21-15(11-12)18(25)23-16-13(19)6-5-7-14(16)20/h5-8,10-11H,2-4,9H2,1H3,(H,22,24)(H,23,25)
InChIKeyUZUXRVPEHASXHA-UHFFFAOYSA-N
XLogP3.53
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.53
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-pentyl-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide
CID 109089770
4-N-butyl-2-N-(2,6-difluorophenyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109090032
4-N-[2-(2-fluorophenyl)ethyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109087942
4-N-butyl-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109079208
2-N-(2,6-difluorophenyl)-4-N-[2-(4-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109088058
4-N-butyl-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide
CID 109079284
2-N-(2,4-dichlorophenyl)-4-N-pentylpyridine-2,4-dicarboxamide
CID 109089825
4-N-butyl-2-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide
CID 109079293
4-N-(2,6-difluorophenyl)-2-N,2-N-diethylpyridine-2,4-dicarboxamide
CID 109089015
N-(2,6-difluorophenyl)-4-(propylamino)pyridine-2-carboxamide
CID 62165268
4-N-[3-(dimethylamino)propyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109083911
2-N-(2-methoxyethyl)-4-N-pentylpyridine-2,4-dicarboxamide
CID 109082372

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,6-difluorophenyl)-4-N-pentylpyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(2,6-difluorophenyl)-4-N-pentylpyridine-2,4-dicarboxamide (CID 109089838) is 2-N-(2,6-difluorophenyl)-4-N-pentylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(2,6-difluorophenyl)-4-N-pentylpyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(2,6-difluorophenyl)-4-N-pentylpyridine-2,4-dicarboxamide is CCCCCNC(=O)c1ccnc(C(=O)Nc2c(F)cccc2F)c1.
What is the InChIKey of 2-N-(2,6-difluorophenyl)-4-N-pentylpyridine-2,4-dicarboxamide?
The InChIKey is UZUXRVPEHASXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O2/c1-2-3-4-9-22-17(24)12-8-10-21-15(11-12)18(25)23-16-13(19)6-5-7-14(16)20/h5-8,10-11H,2-4,9H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 2-N-(2,6-difluorophenyl)-4-N-pentylpyridine-2,4-dicarboxamide?
2-N-(2,6-difluorophenyl)-4-N-pentylpyridine-2,4-dicarboxamide has a molecular weight of 347.37 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,6-difluorophenyl)-4-N-pentylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109089838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).