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

C20H19F2N3O3 — CID 139347719

IUPACN-(4-fluoro-1-bicyclo[2.1.1]hexanyl)-4-[[2-(5-fluoro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide
SMILESO=C(Cc1cc(F)ccc1O)Nc1ccnc(C(=O)NC23CCC(F)(C2)C3)c1
InChIInChI=1S/C20H19F2N3O3/c21-13-1-2-16(26)12(7-13)8-17(27)24-14-3-6-23-15(9-14)18(28)25-20-5-4-19(22,10-20)11-20/h1-3,6-7,9,26H,4-5,8,10-11H2,(H,25,28)(H,23,24,27)
InChIKeyVRALXWVEYHOHAK-UHFFFAOYSA-N
MW387.39 g/mol
LogP2.87
Rot. Bonds5

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

N-(4-fluoro-1-bicyclo[2.1.1]hexanyl)-4-[[2-(5-fluoro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide (PubChem CID 139347719) has the molecular formula C20H19F2N3O3 and a molecular weight of 387.39 g/mol. Its IUPAC name is N-(4-fluoro-1-bicyclo[2.1.1]hexanyl)-4-[[2-(5-fluoro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-1-bicyclo[2.1.1]hexanyl)-4-[[2-(5-fluoro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide
PubChem CID139347719
Molecular FormulaC20H19F2N3O3
Molecular Weight387.39 g/mol
Exact Mass387.14
IUPAC NameN-(4-fluoro-1-bicyclo[2.1.1]hexanyl)-4-[[2-(5-fluoro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide
SMILESO=C(Cc1cc(F)ccc1O)Nc1ccnc(C(=O)NC23CCC(F)(C2)C3)c1
InChIInChI=1S/C20H19F2N3O3/c21-13-1-2-16(26)12(7-13)8-17(27)24-14-3-6-23-15(9-14)18(28)25-20-5-4-19(22,10-20)11-20/h1-3,6-7,9,26H,4-5,8,10-11H2,(H,25,28)(H,23,24,27)
InChIKeyVRALXWVEYHOHAK-UHFFFAOYSA-N
XLogP2.87
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(4-fluoro-1-bicyclo[2.1.1]hexanyl)-4-[[2-(5-fluoro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide with MolForge

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Related Compounds

US20200361871A1, Example 36
CID 139347764
N-[1-[8-(3-aminopropylamino)octylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]pyridine-2-carboxamide
CID 44369248
US20200361871A1, Example 81.2
CID 139347709
US20200361871A1, Example 81.3
CID 139347759
US20200361871A1, Example 48
CID 139347769
US20200361871A1, Example 44
CID 139347772
US20200361871A1, Example 28
CID 139347784
US20200361871A1, Example 3.1a
CID 139347796
N-tert-Butyl-4-[[2-[2-hydroxy-5-(trifluoromethyl)phenyl]acetyl]amino]pyridine-2-carboxamide
CID 139347812
US20200361871A1, Example 3.7a
CID 139347829
US20200361871A1, Example 77.1
CID 139347842
US20200361871A1, Example 20
CID 139347934

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-1-bicyclo[2.1.1]hexanyl)-4-[[2-(5-fluoro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide?
The IUPAC name of N-(4-fluoro-1-bicyclo[2.1.1]hexanyl)-4-[[2-(5-fluoro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide (CID 139347719) is N-(4-fluoro-1-bicyclo[2.1.1]hexanyl)-4-[[2-(5-fluoro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for N-(4-fluoro-1-bicyclo[2.1.1]hexanyl)-4-[[2-(5-fluoro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide?
The canonical SMILES for N-(4-fluoro-1-bicyclo[2.1.1]hexanyl)-4-[[2-(5-fluoro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide is O=C(Cc1cc(F)ccc1O)Nc1ccnc(C(=O)NC23CCC(F)(C2)C3)c1.
What is the InChIKey of N-(4-fluoro-1-bicyclo[2.1.1]hexanyl)-4-[[2-(5-fluoro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide?
The InChIKey is VRALXWVEYHOHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O3/c21-13-1-2-16(26)12(7-13)8-17(27)24-14-3-6-23-15(9-14)18(28)25-20-5-4-19(22,10-20)11-20/h1-3,6-7,9,26H,4-5,8,10-11H2,(H,25,28)(H,23,24,27).
What are the key properties of N-(4-fluoro-1-bicyclo[2.1.1]hexanyl)-4-[[2-(5-fluoro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide?
N-(4-fluoro-1-bicyclo[2.1.1]hexanyl)-4-[[2-(5-fluoro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide has a molecular weight of 387.39 g/mol, XLogP of 2.87, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-1-bicyclo[2.1.1]hexanyl)-4-[[2-(5-fluoro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 139347719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).