4-N-butyl-2-N-(2,6-difluorophenyl)-4-N-methylpyridine-2,4-dicarboxamide

C18H19F2N3O2 — CID 109090032

IUPAC4-N-butyl-2-N-(2,6-difluorophenyl)-4-N-methylpyridine-2,4-dicarboxamide
SMILESCCCCN(C)C(=O)c1ccnc(C(=O)Nc2c(F)cccc2F)c1
InChIInChI=1S/C18H19F2N3O2/c1-3-4-10-23(2)18(25)12-8-9-21-15(11-12)17(24)22-16-13(19)6-5-7-14(16)20/h5-9,11H,3-4,10H2,1-2H3,(H,22,24)
InChIKeyYODFBVLOMNQQLF-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.48
Rot. Bonds6

About 4-N-butyl-2-N-(2,6-difluorophenyl)-4-N-methylpyridine-2,4-dicarboxamide

4-N-butyl-2-N-(2,6-difluorophenyl)-4-N-methylpyridine-2,4-dicarboxamide (PubChem CID 109090032) has the molecular formula C18H19F2N3O2 and a molecular weight of 347.37 g/mol. Its IUPAC name is 4-N-butyl-2-N-(2,6-difluorophenyl)-4-N-methylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-butyl-2-N-(2,6-difluorophenyl)-4-N-methylpyridine-2,4-dicarboxamide
PubChem CID109090032
Molecular FormulaC18H19F2N3O2
Molecular Weight347.37 g/mol
Exact Mass347.14
IUPAC Name4-N-butyl-2-N-(2,6-difluorophenyl)-4-N-methylpyridine-2,4-dicarboxamide
SMILESCCCCN(C)C(=O)c1ccnc(C(=O)Nc2c(F)cccc2F)c1
InChIInChI=1S/C18H19F2N3O2/c1-3-4-10-23(2)18(25)12-8-9-21-15(11-12)17(24)22-16-13(19)6-5-7-14(16)20/h5-9,11H,3-4,10H2,1-2H3,(H,22,24)
InChIKeyYODFBVLOMNQQLF-UHFFFAOYSA-N
XLogP3.48
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-butyl-1-N-(2,6-difluorophenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109056441
2-N-(2,6-difluorophenyl)-4-N-pentylpyridine-2,4-dicarboxamide
CID 109089838
4-N-butyl-2-N-(3-chloro-4-fluorophenyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109089978
2-N-(3-bromophenyl)-4-N-butyl-4-N-methylpyridine-2,4-dicarboxamide
CID 109090011
2-N-(2-bromophenyl)-4-N-butyl-4-N-methylpyridine-2,4-dicarboxamide
CID 109090010
4-N-butyl-4-N-methyl-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
CID 109079822
4-N-butyl-2-N-(4-tert-butylphenyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109089968
4-N-(2,6-difluorophenyl)-2-N,2-N-diethylpyridine-2,4-dicarboxamide
CID 109089015
4-N-butyl-4-N-methyl-2-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085618
2-N-(2,6-difluorophenyl)-4-N-[2-(4-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109088058
N-(2,6-difluorophenyl)-4-(propylamino)pyridine-2-carboxamide
CID 62165268
2-N-butyl-4-N-(2-chloro-4,6-dimethylphenyl)-2-N-methylpyridine-2,4-dicarboxamide
CID 109090075

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-2-N-(2,6-difluorophenyl)-4-N-methylpyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-butyl-2-N-(2,6-difluorophenyl)-4-N-methylpyridine-2,4-dicarboxamide (CID 109090032) is 4-N-butyl-2-N-(2,6-difluorophenyl)-4-N-methylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-butyl-2-N-(2,6-difluorophenyl)-4-N-methylpyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-butyl-2-N-(2,6-difluorophenyl)-4-N-methylpyridine-2,4-dicarboxamide is CCCCN(C)C(=O)c1ccnc(C(=O)Nc2c(F)cccc2F)c1.
What is the InChIKey of 4-N-butyl-2-N-(2,6-difluorophenyl)-4-N-methylpyridine-2,4-dicarboxamide?
The InChIKey is YODFBVLOMNQQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O2/c1-3-4-10-23(2)18(25)12-8-9-21-15(11-12)17(24)22-16-13(19)6-5-7-14(16)20/h5-9,11H,3-4,10H2,1-2H3,(H,22,24).
What are the key properties of 4-N-butyl-2-N-(2,6-difluorophenyl)-4-N-methylpyridine-2,4-dicarboxamide?
4-N-butyl-2-N-(2,6-difluorophenyl)-4-N-methylpyridine-2,4-dicarboxamide has a molecular weight of 347.37 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-2-N-(2,6-difluorophenyl)-4-N-methylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109090032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).