6-(2,6-difluorophenyl)-5-fluoro-N-[4-(oxan-2-yl)-3-pyridinyl]pyridine-2-carboxamide

C22H18F3N3O2 — CID 77241068

IUPAC6-(2,6-difluorophenyl)-5-fluoro-N-[4-(oxan-2-yl)-3-pyridinyl]pyridine-2-carboxamide
SMILESO=C(Nc1cnccc1C1CCCCO1)c1ccc(F)c(-c2c(F)cccc2F)n1
InChIInChI=1S/C22H18F3N3O2/c23-14-4-3-5-15(24)20(14)21-16(25)7-8-17(27-21)22(29)28-18-12-26-10-9-13(18)19-6-1-2-11-30-19/h3-5,7-10,12,19H,1-2,6,11H2,(H,28,29)
InChIKeyIHZDCVNMMQTTBU-UHFFFAOYSA-N
MW413.40 g/mol
LogP5.05
Rot. Bonds4

About 6-(2,6-difluorophenyl)-5-fluoro-N-[4-(oxan-2-yl)-3-pyridinyl]pyridine-2-carboxamide

6-(2,6-difluorophenyl)-5-fluoro-N-[4-(oxan-2-yl)-3-pyridinyl]pyridine-2-carboxamide (PubChem CID 77241068) has the molecular formula C22H18F3N3O2 and a molecular weight of 413.40 g/mol. Its IUPAC name is 6-(2,6-difluorophenyl)-5-fluoro-N-[4-(oxan-2-yl)-3-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(2,6-difluorophenyl)-5-fluoro-N-[4-(oxan-2-yl)-3-pyridinyl]pyridine-2-carboxamide
PubChem CID77241068
Molecular FormulaC22H18F3N3O2
Molecular Weight413.40 g/mol
Exact Mass413.14
IUPAC Name6-(2,6-difluorophenyl)-5-fluoro-N-[4-(oxan-2-yl)-3-pyridinyl]pyridine-2-carboxamide
SMILESO=C(Nc1cnccc1C1CCCCO1)c1ccc(F)c(-c2c(F)cccc2F)n1
InChIInChI=1S/C22H18F3N3O2/c23-14-4-3-5-15(24)20(14)21-16(25)7-8-17(27-21)22(29)28-18-12-26-10-9-13(18)19-6-1-2-11-30-19/h3-5,7-10,12,19H,1-2,6,11H2,(H,28,29)
InChIKeyIHZDCVNMMQTTBU-UHFFFAOYSA-N
XLogP5.05
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.40
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluorophenyl)-5-fluoro-N-[4-(oxan-2-yl)-3-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of 6-(2,6-difluorophenyl)-5-fluoro-N-[4-(oxan-2-yl)-3-pyridinyl]pyridine-2-carboxamide (CID 77241068) is 6-(2,6-difluorophenyl)-5-fluoro-N-[4-(oxan-2-yl)-3-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(2,6-difluorophenyl)-5-fluoro-N-[4-(oxan-2-yl)-3-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for 6-(2,6-difluorophenyl)-5-fluoro-N-[4-(oxan-2-yl)-3-pyridinyl]pyridine-2-carboxamide is O=C(Nc1cnccc1C1CCCCO1)c1ccc(F)c(-c2c(F)cccc2F)n1.
What is the InChIKey of 6-(2,6-difluorophenyl)-5-fluoro-N-[4-(oxan-2-yl)-3-pyridinyl]pyridine-2-carboxamide?
The InChIKey is IHZDCVNMMQTTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N3O2/c23-14-4-3-5-15(24)20(14)21-16(25)7-8-17(27-21)22(29)28-18-12-26-10-9-13(18)19-6-1-2-11-30-19/h3-5,7-10,12,19H,1-2,6,11H2,(H,28,29).
What are the key properties of 6-(2,6-difluorophenyl)-5-fluoro-N-[4-(oxan-2-yl)-3-pyridinyl]pyridine-2-carboxamide?
6-(2,6-difluorophenyl)-5-fluoro-N-[4-(oxan-2-yl)-3-pyridinyl]pyridine-2-carboxamide has a molecular weight of 413.40 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluorophenyl)-5-fluoro-N-[4-(oxan-2-yl)-3-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 77241068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).