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

C20H19ClFN3O3 — CID 139347772

IUPAC4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-(4-fluoro-1-bicyclo[2.1.1]hexanyl)pyridine-2-carboxamide
SMILESO=C(Cc1cc(Cl)ccc1O)Nc1ccnc(C(=O)NC23CCC(F)(C2)C3)c1
InChIInChI=1S/C20H19ClFN3O3/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)
InChIKeyRLGMQPQSDBMCOS-UHFFFAOYSA-N
MW403.84 g/mol
LogP3.39
Rot. Bonds5

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

4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-(4-fluoro-1-bicyclo[2.1.1]hexanyl)pyridine-2-carboxamide (PubChem CID 139347772) has the molecular formula C20H19ClFN3O3 and a molecular weight of 403.84 g/mol. Its IUPAC name is 4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-(4-fluoro-1-bicyclo[2.1.1]hexanyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-(4-fluoro-1-bicyclo[2.1.1]hexanyl)pyridine-2-carboxamide
PubChem CID139347772
Molecular FormulaC20H19ClFN3O3
Molecular Weight403.84 g/mol
Exact Mass403.11
IUPAC Name4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-(4-fluoro-1-bicyclo[2.1.1]hexanyl)pyridine-2-carboxamide
SMILESO=C(Cc1cc(Cl)ccc1O)Nc1ccnc(C(=O)NC23CCC(F)(C2)C3)c1
InChIInChI=1S/C20H19ClFN3O3/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)
InChIKeyRLGMQPQSDBMCOS-UHFFFAOYSA-N
XLogP3.39
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.84
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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Related Compounds

US20200361871A1, Example 36
CID 139347764
5-chloro-N-(3-chloropyridin-4-yl)-2-hydroxybenzamide
CID 46836254
US20200361871A1, Example 81.2
CID 139347709
US20200361871A1, Example 81.4
CID 139347719
US20200361871A1, Example 81.3
CID 139347759
US20200361871A1, Example 48
CID 139347769
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 20
CID 139347934
US20200361871A1, Example 76
CID 139348036
US20200361871A1, Example 43
CID 139348143

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-(4-fluoro-1-bicyclo[2.1.1]hexanyl)pyridine-2-carboxamide?
The IUPAC name of 4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-(4-fluoro-1-bicyclo[2.1.1]hexanyl)pyridine-2-carboxamide (CID 139347772) is 4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-(4-fluoro-1-bicyclo[2.1.1]hexanyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-(4-fluoro-1-bicyclo[2.1.1]hexanyl)pyridine-2-carboxamide?
The canonical SMILES for 4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-(4-fluoro-1-bicyclo[2.1.1]hexanyl)pyridine-2-carboxamide is O=C(Cc1cc(Cl)ccc1O)Nc1ccnc(C(=O)NC23CCC(F)(C2)C3)c1.
What is the InChIKey of 4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-(4-fluoro-1-bicyclo[2.1.1]hexanyl)pyridine-2-carboxamide?
The InChIKey is RLGMQPQSDBMCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3O3/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 4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-(4-fluoro-1-bicyclo[2.1.1]hexanyl)pyridine-2-carboxamide?
4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-(4-fluoro-1-bicyclo[2.1.1]hexanyl)pyridine-2-carboxamide has a molecular weight of 403.84 g/mol, XLogP of 3.39, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-(4-fluoro-1-bicyclo[2.1.1]hexanyl)pyridine-2-carboxamide is sourced from PubChem (CID 139347772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).