N-(2,6-difluorophenyl)-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide

C20H16F3N3O — CID 109214096

IUPACN-(2,6-difluorophenyl)-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide
SMILESO=C(Nc1c(F)cccc1F)c1cc(NCCc2ccccc2F)ccn1
InChIInChI=1S/C20H16F3N3O/c21-15-5-2-1-4-13(15)8-10-24-14-9-11-25-18(12-14)20(27)26-19-16(22)6-3-7-17(19)23/h1-7,9,11-12H,8,10H2,(H,24,25)(H,26,27)
InChIKeyNJJDSAMLAPKAPQ-UHFFFAOYSA-N
MW371.36 g/mol
LogP4.41
Rot. Bonds6

About N-(2,6-difluorophenyl)-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide

N-(2,6-difluorophenyl)-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide (PubChem CID 109214096) has the molecular formula C20H16F3N3O and a molecular weight of 371.36 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide
PubChem CID109214096
Molecular FormulaC20H16F3N3O
Molecular Weight371.36 g/mol
Exact Mass371.12
IUPAC NameN-(2,6-difluorophenyl)-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide
SMILESO=C(Nc1c(F)cccc1F)c1cc(NCCc2ccccc2F)ccn1
InChIInChI=1S/C20H16F3N3O/c21-15-5-2-1-4-13(15)8-10-24-14-9-11-25-18(12-14)20(27)26-19-16(22)6-3-7-17(19)23/h1-7,9,11-12H,8,10H2,(H,24,25)(H,26,27)
InChIKeyNJJDSAMLAPKAPQ-UHFFFAOYSA-N
XLogP4.41
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide (CID 109214096) is N-(2,6-difluorophenyl)-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide is O=C(Nc1c(F)cccc1F)c1cc(NCCc2ccccc2F)ccn1.
What is the InChIKey of N-(2,6-difluorophenyl)-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide?
The InChIKey is NJJDSAMLAPKAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O/c21-15-5-2-1-4-13(15)8-10-24-14-9-11-25-18(12-14)20(27)26-19-16(22)6-3-7-17(19)23/h1-7,9,11-12H,8,10H2,(H,24,25)(H,26,27).
What are the key properties of N-(2,6-difluorophenyl)-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide?
N-(2,6-difluorophenyl)-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide has a molecular weight of 371.36 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide is sourced from PubChem (CID 109214096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).