6-N-(3,4-difluorophenyl)-2-N-[(4-methylphenyl)methyl]pyridine-2,6-dicarboxamide

C21H17F2N3O2 — CID 109097568

IUPAC6-N-(3,4-difluorophenyl)-2-N-[(4-methylphenyl)methyl]pyridine-2,6-dicarboxamide
SMILESCc1ccc(CNC(=O)c2cccc(C(=O)Nc3ccc(F)c(F)c3)n2)cc1
InChIInChI=1S/C21H17F2N3O2/c1-13-5-7-14(8-6-13)12-24-20(27)18-3-2-4-19(26-18)21(28)25-15-9-10-16(22)17(23)11-15/h2-11H,12H2,1H3,(H,24,27)(H,25,28)
InChIKeyGTGYRLJOPLLJET-UHFFFAOYSA-N
MW381.38 g/mol
LogP3.85
Rot. Bonds5

About 6-N-(3,4-difluorophenyl)-2-N-[(4-methylphenyl)methyl]pyridine-2,6-dicarboxamide

6-N-(3,4-difluorophenyl)-2-N-[(4-methylphenyl)methyl]pyridine-2,6-dicarboxamide (PubChem CID 109097568) has the molecular formula C21H17F2N3O2 and a molecular weight of 381.38 g/mol. Its IUPAC name is 6-N-(3,4-difluorophenyl)-2-N-[(4-methylphenyl)methyl]pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-(3,4-difluorophenyl)-2-N-[(4-methylphenyl)methyl]pyridine-2,6-dicarboxamide
PubChem CID109097568
Molecular FormulaC21H17F2N3O2
Molecular Weight381.38 g/mol
Exact Mass381.13
IUPAC Name6-N-(3,4-difluorophenyl)-2-N-[(4-methylphenyl)methyl]pyridine-2,6-dicarboxamide
SMILESCc1ccc(CNC(=O)c2cccc(C(=O)Nc3ccc(F)c(F)c3)n2)cc1
InChIInChI=1S/C21H17F2N3O2/c1-13-5-7-14(8-6-13)12-24-20(27)18-3-2-4-19(26-18)21(28)25-15-9-10-16(22)17(23)11-15/h2-11H,12H2,1H3,(H,24,27)(H,25,28)
InChIKeyGTGYRLJOPLLJET-UHFFFAOYSA-N
XLogP3.85
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-N-(3,4-difluorophenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098412
6-N-(4-methylphenyl)-2-N-[(4-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097523
2-N-benzyl-6-N-(4-methylphenyl)pyridine-2,6-dicarboxamide
CID 109097257
6-N-(4-methoxyphenyl)-2-N-[(4-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097550
2-N-[(4-chlorophenyl)methyl]-6-N-(4-fluorophenyl)pyridine-2,6-dicarboxamide
CID 109097951
6-N-(3-chloro-4-fluorophenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098377
6-N-(3,4-difluorophenyl)-2-N-(3,4-dimethylphenyl)pyridine-2,6-dicarboxamide
CID 109100456
2-N-[(4-methylphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097501
6-N-(3-fluorophenyl)-2-N-[(4-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097871
6-N-[(3-methylphenyl)methyl]-2-N-[(4-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097409
6-N-(3,4-difluorophenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide
CID 109094193
2-N-(3,4-difluorophenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109093804

Frequently Asked Questions

What is the IUPAC name of 6-N-(3,4-difluorophenyl)-2-N-[(4-methylphenyl)methyl]pyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-(3,4-difluorophenyl)-2-N-[(4-methylphenyl)methyl]pyridine-2,6-dicarboxamide (CID 109097568) is 6-N-(3,4-difluorophenyl)-2-N-[(4-methylphenyl)methyl]pyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-(3,4-difluorophenyl)-2-N-[(4-methylphenyl)methyl]pyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-(3,4-difluorophenyl)-2-N-[(4-methylphenyl)methyl]pyridine-2,6-dicarboxamide is Cc1ccc(CNC(=O)c2cccc(C(=O)Nc3ccc(F)c(F)c3)n2)cc1.
What is the InChIKey of 6-N-(3,4-difluorophenyl)-2-N-[(4-methylphenyl)methyl]pyridine-2,6-dicarboxamide?
The InChIKey is GTGYRLJOPLLJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N3O2/c1-13-5-7-14(8-6-13)12-24-20(27)18-3-2-4-19(26-18)21(28)25-15-9-10-16(22)17(23)11-15/h2-11H,12H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 6-N-(3,4-difluorophenyl)-2-N-[(4-methylphenyl)methyl]pyridine-2,6-dicarboxamide?
6-N-(3,4-difluorophenyl)-2-N-[(4-methylphenyl)methyl]pyridine-2,6-dicarboxamide has a molecular weight of 381.38 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3,4-difluorophenyl)-2-N-[(4-methylphenyl)methyl]pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109097568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).