5-N-(3,4-difluorophenyl)-3-N-[(4-fluorophenyl)methyl]pyridine-3,5-dicarboxamide

C20H14F3N3O2 — CID 109105648

IUPAC5-N-(3,4-difluorophenyl)-3-N-[(4-fluorophenyl)methyl]pyridine-3,5-dicarboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cncc(C(=O)Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C20H14F3N3O2/c21-15-3-1-12(2-4-15)9-25-19(27)13-7-14(11-24-10-13)20(28)26-16-5-6-17(22)18(23)8-16/h1-8,10-11H,9H2,(H,25,27)(H,26,28)
InChIKeyKFWANRUHHGZEQF-UHFFFAOYSA-N
MW385.35 g/mol
LogP3.68
Rot. Bonds5

About 5-N-(3,4-difluorophenyl)-3-N-[(4-fluorophenyl)methyl]pyridine-3,5-dicarboxamide

5-N-(3,4-difluorophenyl)-3-N-[(4-fluorophenyl)methyl]pyridine-3,5-dicarboxamide (PubChem CID 109105648) has the molecular formula C20H14F3N3O2 and a molecular weight of 385.35 g/mol. Its IUPAC name is 5-N-(3,4-difluorophenyl)-3-N-[(4-fluorophenyl)methyl]pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(3,4-difluorophenyl)-3-N-[(4-fluorophenyl)methyl]pyridine-3,5-dicarboxamide
PubChem CID109105648
Molecular FormulaC20H14F3N3O2
Molecular Weight385.35 g/mol
Exact Mass385.10
IUPAC Name5-N-(3,4-difluorophenyl)-3-N-[(4-fluorophenyl)methyl]pyridine-3,5-dicarboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cncc(C(=O)Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C20H14F3N3O2/c21-15-3-1-12(2-4-15)9-25-19(27)13-7-14(11-24-10-13)20(28)26-16-5-6-17(22)18(23)8-16/h1-8,10-11H,9H2,(H,25,27)(H,26,28)
InChIKeyKFWANRUHHGZEQF-UHFFFAOYSA-N
XLogP3.68
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-difluorophenyl)methyl]-5-fluoropyridine-3-carboxamide
CID 140591693
5-N-(4-fluorophenyl)-3-N-[2-(4-fluorophenyl)ethyl]pyridine-3,5-dicarboxamide
CID 109106374
N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]pyridine-4-carboxamide
CID 71918325
N-(4-chlorophenyl)-5-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109233729
5-N-(2,4-difluorophenyl)-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106175
3,4-difluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 28558368
4-N-(4-fluorophenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047271
N-(3,4-difluorophenyl)-5-hydroxypyridine-3-carboxamide
CID 63864937
5-N-(3-chloro-4-methylphenyl)-3-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105312
3-N-(3,4-difluorophenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101520
5-[2-(4-chlorophenyl)ethylamino]-N-(3,4-difluorophenyl)pyridine-3-carboxamide
CID 109237881
5-N-(4-fluorophenyl)-3-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109104908

Frequently Asked Questions

What is the IUPAC name of 5-N-(3,4-difluorophenyl)-3-N-[(4-fluorophenyl)methyl]pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-(3,4-difluorophenyl)-3-N-[(4-fluorophenyl)methyl]pyridine-3,5-dicarboxamide (CID 109105648) is 5-N-(3,4-difluorophenyl)-3-N-[(4-fluorophenyl)methyl]pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(3,4-difluorophenyl)-3-N-[(4-fluorophenyl)methyl]pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(3,4-difluorophenyl)-3-N-[(4-fluorophenyl)methyl]pyridine-3,5-dicarboxamide is O=C(NCc1ccc(F)cc1)c1cncc(C(=O)Nc2ccc(F)c(F)c2)c1.
What is the InChIKey of 5-N-(3,4-difluorophenyl)-3-N-[(4-fluorophenyl)methyl]pyridine-3,5-dicarboxamide?
The InChIKey is KFWANRUHHGZEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O2/c21-15-3-1-12(2-4-15)9-25-19(27)13-7-14(11-24-10-13)20(28)26-16-5-6-17(22)18(23)8-16/h1-8,10-11H,9H2,(H,25,27)(H,26,28).
What are the key properties of 5-N-(3,4-difluorophenyl)-3-N-[(4-fluorophenyl)methyl]pyridine-3,5-dicarboxamide?
5-N-(3,4-difluorophenyl)-3-N-[(4-fluorophenyl)methyl]pyridine-3,5-dicarboxamide has a molecular weight of 385.35 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3,4-difluorophenyl)-3-N-[(4-fluorophenyl)methyl]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109105648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).