4-[[2-(2,5-difluorophenyl)acetyl]amino]-N-(4-fluoro-1-bicyclo[2.1.1]hexanyl)pyridine-2-carboxamide

C20H18F3N3O2 — CID 139347842

IUPAC4-[[2-(2,5-difluorophenyl)acetyl]amino]-N-(4-fluoro-1-bicyclo[2.1.1]hexanyl)pyridine-2-carboxamide
SMILESO=C(Cc1cc(F)ccc1F)Nc1ccnc(C(=O)NC23CCC(F)(C2)C3)c1
InChIInChI=1S/C20H18F3N3O2/c21-13-1-2-15(22)12(7-13)8-17(27)25-14-3-6-24-16(9-14)18(28)26-20-5-4-19(23,10-20)11-20/h1-3,6-7,9H,4-5,8,10-11H2,(H,26,28)(H,24,25,27)
InChIKeyCNLOVXUOSKXAEX-UHFFFAOYSA-N
MW389.38 g/mol
LogP3.31
Rot. Bonds5

About 4-[[2-(2,5-difluorophenyl)acetyl]amino]-N-(4-fluoro-1-bicyclo[2.1.1]hexanyl)pyridine-2-carboxamide

4-[[2-(2,5-difluorophenyl)acetyl]amino]-N-(4-fluoro-1-bicyclo[2.1.1]hexanyl)pyridine-2-carboxamide (PubChem CID 139347842) has the molecular formula C20H18F3N3O2 and a molecular weight of 389.38 g/mol. Its IUPAC name is 4-[[2-(2,5-difluorophenyl)acetyl]amino]-N-(4-fluoro-1-bicyclo[2.1.1]hexanyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[2-(2,5-difluorophenyl)acetyl]amino]-N-(4-fluoro-1-bicyclo[2.1.1]hexanyl)pyridine-2-carboxamide
PubChem CID139347842
Molecular FormulaC20H18F3N3O2
Molecular Weight389.38 g/mol
Exact Mass389.14
IUPAC Name4-[[2-(2,5-difluorophenyl)acetyl]amino]-N-(4-fluoro-1-bicyclo[2.1.1]hexanyl)pyridine-2-carboxamide
SMILESO=C(Cc1cc(F)ccc1F)Nc1ccnc(C(=O)NC23CCC(F)(C2)C3)c1
InChIInChI=1S/C20H18F3N3O2/c21-13-1-2-15(22)12(7-13)8-17(27)25-14-3-6-24-16(9-14)18(28)26-20-5-4-19(23,10-20)11-20/h1-3,6-7,9H,4-5,8,10-11H2,(H,26,28)(H,24,25,27)
InChIKeyCNLOVXUOSKXAEX-UHFFFAOYSA-N
XLogP3.31
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,5-difluorophenyl)acetyl]amino]-N-(4-fluoro-1-bicyclo[2.1.1]hexanyl)pyridine-2-carboxamide?
The IUPAC name of 4-[[2-(2,5-difluorophenyl)acetyl]amino]-N-(4-fluoro-1-bicyclo[2.1.1]hexanyl)pyridine-2-carboxamide (CID 139347842) is 4-[[2-(2,5-difluorophenyl)acetyl]amino]-N-(4-fluoro-1-bicyclo[2.1.1]hexanyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[[2-(2,5-difluorophenyl)acetyl]amino]-N-(4-fluoro-1-bicyclo[2.1.1]hexanyl)pyridine-2-carboxamide?
The canonical SMILES for 4-[[2-(2,5-difluorophenyl)acetyl]amino]-N-(4-fluoro-1-bicyclo[2.1.1]hexanyl)pyridine-2-carboxamide is O=C(Cc1cc(F)ccc1F)Nc1ccnc(C(=O)NC23CCC(F)(C2)C3)c1.
What is the InChIKey of 4-[[2-(2,5-difluorophenyl)acetyl]amino]-N-(4-fluoro-1-bicyclo[2.1.1]hexanyl)pyridine-2-carboxamide?
The InChIKey is CNLOVXUOSKXAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O2/c21-13-1-2-15(22)12(7-13)8-17(27)25-14-3-6-24-16(9-14)18(28)26-20-5-4-19(23,10-20)11-20/h1-3,6-7,9H,4-5,8,10-11H2,(H,26,28)(H,24,25,27).
What are the key properties of 4-[[2-(2,5-difluorophenyl)acetyl]amino]-N-(4-fluoro-1-bicyclo[2.1.1]hexanyl)pyridine-2-carboxamide?
4-[[2-(2,5-difluorophenyl)acetyl]amino]-N-(4-fluoro-1-bicyclo[2.1.1]hexanyl)pyridine-2-carboxamide has a molecular weight of 389.38 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,5-difluorophenyl)acetyl]amino]-N-(4-fluoro-1-bicyclo[2.1.1]hexanyl)pyridine-2-carboxamide is sourced from PubChem (CID 139347842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).