N-(4-cyanooxan-4-yl)-4-[[2-(5-fluoro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide

C20H19FN4O4 — CID 139366506

IUPACN-(4-cyanooxan-4-yl)-4-[[2-(5-fluoro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide
SMILESN#CC1(NC(=O)c2cc(NC(=O)Cc3cc(F)ccc3O)ccn2)CCOCC1
InChIInChI=1S/C20H19FN4O4/c21-14-1-2-17(26)13(9-14)10-18(27)24-15-3-6-23-16(11-15)19(28)25-20(12-22)4-7-29-8-5-20/h1-3,6,9,11,26H,4-5,7-8,10H2,(H,25,28)(H,23,24,27)
InChIKeyQMAGELZSZBHISS-UHFFFAOYSA-N
MW398.39 g/mol
LogP1.91
Rot. Bonds5

About N-(4-cyanooxan-4-yl)-4-[[2-(5-fluoro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide

N-(4-cyanooxan-4-yl)-4-[[2-(5-fluoro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide (PubChem CID 139366506) has the molecular formula C20H19FN4O4 and a molecular weight of 398.39 g/mol. Its IUPAC name is N-(4-cyanooxan-4-yl)-4-[[2-(5-fluoro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyanooxan-4-yl)-4-[[2-(5-fluoro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide
PubChem CID139366506
Molecular FormulaC20H19FN4O4
Molecular Weight398.39 g/mol
Exact Mass398.14
IUPAC NameN-(4-cyanooxan-4-yl)-4-[[2-(5-fluoro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide
SMILESN#CC1(NC(=O)c2cc(NC(=O)Cc3cc(F)ccc3O)ccn2)CCOCC1
InChIInChI=1S/C20H19FN4O4/c21-14-1-2-17(26)13(9-14)10-18(27)24-15-3-6-23-16(11-15)19(28)25-20(12-22)4-7-29-8-5-20/h1-3,6,9,11,26H,4-5,7-8,10H2,(H,25,28)(H,23,24,27)
InChIKeyQMAGELZSZBHISS-UHFFFAOYSA-N
XLogP1.91
TPSA124.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.39
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-cyanooxan-4-yl)-4-[[2-[2-fluoro-5-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)phenyl]acetyl]amino]pyridine-2-carboxamide
CID 155588575
N-(4-cyanooxan-4-yl)-4-[(2-quinolin-6-ylacetyl)amino]pyridine-2-carboxamide
CID 139347848
N-(4-cyanooxan-4-yl)-4-[[2-(1H-indazol-6-yl)acetyl]amino]pyridine-2-carboxamide
CID 155588700
4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-2-carboxamide
CID 139347861
4-[[2-(4-tert-butyl-2-chloro-5-hydroxyphenyl)acetyl]amino]-N-(1-cyanocyclopropyl)pyridine-2-carboxamide
CID 155588572
4-[3-(5-tert-butyl-2-hydroxyphenyl)-2-oxopropyl]-N-(4-cyanooxan-4-yl)pyridine-2-carboxamide
CID 158541890
N-tert-butyl-4-[[2-(5-fluoro-2-methoxyphenyl)acetyl]amino]pyridine-2-carboxamide
CID 139348177
methyl 4-[[2-(2,5-difluorophenyl)acetyl]amino]pyridine-2-carboxylate
CID 139348053
N-(1-bicyclo[3.2.1]oct-5-enyl)-4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide
CID 167213391
4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-(3,3-difluoropiperidin-4-yl)pyridine-2-carboxamide
CID 139348428
N-tert-butyl-4-[[2-[4-(2-cyanopropan-2-yl)-2-fluoro-5-hydroxyphenyl]acetyl]amino]pyridine-2-carboxamide
CID 155588543
N-tert-butyl-4-[[2-(4-chloro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide
CID 139348454

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanooxan-4-yl)-4-[[2-(5-fluoro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide?
The IUPAC name of N-(4-cyanooxan-4-yl)-4-[[2-(5-fluoro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide (CID 139366506) is N-(4-cyanooxan-4-yl)-4-[[2-(5-fluoro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for N-(4-cyanooxan-4-yl)-4-[[2-(5-fluoro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide?
The canonical SMILES for N-(4-cyanooxan-4-yl)-4-[[2-(5-fluoro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide is N#CC1(NC(=O)c2cc(NC(=O)Cc3cc(F)ccc3O)ccn2)CCOCC1.
What is the InChIKey of N-(4-cyanooxan-4-yl)-4-[[2-(5-fluoro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide?
The InChIKey is QMAGELZSZBHISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O4/c21-14-1-2-17(26)13(9-14)10-18(27)24-15-3-6-23-16(11-15)19(28)25-20(12-22)4-7-29-8-5-20/h1-3,6,9,11,26H,4-5,7-8,10H2,(H,25,28)(H,23,24,27).
What are the key properties of N-(4-cyanooxan-4-yl)-4-[[2-(5-fluoro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide?
N-(4-cyanooxan-4-yl)-4-[[2-(5-fluoro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide has a molecular weight of 398.39 g/mol, XLogP of 1.91, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanooxan-4-yl)-4-[[2-(5-fluoro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 139366506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).