2-N-tert-butyl-4-N-(3,4-difluorophenyl)pyridine-2,4-dicarboxamide

C17H17F2N3O2 — CID 109089355

IUPAC2-N-tert-butyl-4-N-(3,4-difluorophenyl)pyridine-2,4-dicarboxamide
SMILESCC(C)(C)NC(=O)c1cc(C(=O)Nc2ccc(F)c(F)c2)ccn1
InChIInChI=1S/C17H17F2N3O2/c1-17(2,3)22-16(24)14-8-10(6-7-20-14)15(23)21-11-4-5-12(18)13(19)9-11/h4-9H,1-3H3,(H,21,23)(H,22,24)
InChIKeyXWSQKOJGRTZUQL-UHFFFAOYSA-N
MW333.34 g/mol
LogP3.14
Rot. Bonds3

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

2-N-tert-butyl-4-N-(3,4-difluorophenyl)pyridine-2,4-dicarboxamide (PubChem CID 109089355) has the molecular formula C17H17F2N3O2 and a molecular weight of 333.34 g/mol. Its IUPAC name is 2-N-tert-butyl-4-N-(3,4-difluorophenyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-tert-butyl-4-N-(3,4-difluorophenyl)pyridine-2,4-dicarboxamide
PubChem CID109089355
Molecular FormulaC17H17F2N3O2
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name2-N-tert-butyl-4-N-(3,4-difluorophenyl)pyridine-2,4-dicarboxamide
SMILESCC(C)(C)NC(=O)c1cc(C(=O)Nc2ccc(F)c(F)c2)ccn1
InChIInChI=1S/C17H17F2N3O2/c1-17(2,3)22-16(24)14-8-10(6-7-20-14)15(23)21-11-4-5-12(18)13(19)9-11/h4-9H,1-3H3,(H,21,23)(H,22,24)
InChIKeyXWSQKOJGRTZUQL-UHFFFAOYSA-N
XLogP3.14
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-tert-butyl-1-N-(3,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 48846340
2-N-(3,4-difluorophenyl)-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091189
2-N-(3,4-difluorophenyl)-4-N-(4-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109092288
4-N-(3-acetylphenyl)-2-N-tert-butylpyridine-2,4-dicarboxamide
CID 109089304
2-N-(3,4-difluorophenyl)-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109093279
2-N-butan-2-yl-4-N-(3,4-difluorophenyl)pyridine-2,4-dicarboxamide
CID 109080310
4-N-(3,4-difluorophenyl)-2-N-(3-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109093066
N-(3,4-difluorophenyl)-2-fluoropyridine-4-carboxamide
CID 61295443
4-N-(3,4-difluorophenyl)-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082791
4-N-(3,4-difluorophenyl)-2-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109092464
4-N-tert-butyl-2-N-(3,4-dimethoxyphenyl)pyridine-2,4-dicarboxamide
CID 109089181
4-N-tert-butyl-2-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109089156

Frequently Asked Questions

What is the IUPAC name of 2-N-tert-butyl-4-N-(3,4-difluorophenyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-tert-butyl-4-N-(3,4-difluorophenyl)pyridine-2,4-dicarboxamide (CID 109089355) is 2-N-tert-butyl-4-N-(3,4-difluorophenyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-tert-butyl-4-N-(3,4-difluorophenyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-tert-butyl-4-N-(3,4-difluorophenyl)pyridine-2,4-dicarboxamide is CC(C)(C)NC(=O)c1cc(C(=O)Nc2ccc(F)c(F)c2)ccn1.
What is the InChIKey of 2-N-tert-butyl-4-N-(3,4-difluorophenyl)pyridine-2,4-dicarboxamide?
The InChIKey is XWSQKOJGRTZUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O2/c1-17(2,3)22-16(24)14-8-10(6-7-20-14)15(23)21-11-4-5-12(18)13(19)9-11/h4-9H,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 2-N-tert-butyl-4-N-(3,4-difluorophenyl)pyridine-2,4-dicarboxamide?
2-N-tert-butyl-4-N-(3,4-difluorophenyl)pyridine-2,4-dicarboxamide has a molecular weight of 333.34 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-tert-butyl-4-N-(3,4-difluorophenyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109089355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).