N-(4-cyanooxan-4-yl)-4-[[2-[2-fluoro-5-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)phenyl]acetyl]amino]pyridine-2-carboxamide

C24H27FN4O5 — CID 155588575

IUPACN-(4-cyanooxan-4-yl)-4-[[2-[2-fluoro-5-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)phenyl]acetyl]amino]pyridine-2-carboxamide
SMILESCC(C)(CO)c1cc(F)c(CC(=O)Nc2ccnc(C(=O)NC3(C#N)CCOCC3)c2)cc1O
InChIInChI=1S/C24H27FN4O5/c1-23(2,14-30)17-12-18(25)15(9-20(17)31)10-21(32)28-16-3-6-27-19(11-16)22(33)29-24(13-26)4-7-34-8-5-24/h3,6,9,11-12,30-31H,4-5,7-8,10,14H2,1-2H3,(H,29,33)(H,27,28,32)
InChIKeyUEBDEUSZPQUIDV-UHFFFAOYSA-N
MW470.50 g/mol
LogP2.18
Rot. Bonds7

About N-(4-cyanooxan-4-yl)-4-[[2-[2-fluoro-5-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)phenyl]acetyl]amino]pyridine-2-carboxamide

N-(4-cyanooxan-4-yl)-4-[[2-[2-fluoro-5-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)phenyl]acetyl]amino]pyridine-2-carboxamide (PubChem CID 155588575) has the molecular formula C24H27FN4O5 and a molecular weight of 470.50 g/mol. Its IUPAC name is N-(4-cyanooxan-4-yl)-4-[[2-[2-fluoro-5-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)phenyl]acetyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyanooxan-4-yl)-4-[[2-[2-fluoro-5-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)phenyl]acetyl]amino]pyridine-2-carboxamide
PubChem CID155588575
Molecular FormulaC24H27FN4O5
Molecular Weight470.50 g/mol
Exact Mass470.20
IUPAC NameN-(4-cyanooxan-4-yl)-4-[[2-[2-fluoro-5-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)phenyl]acetyl]amino]pyridine-2-carboxamide
SMILESCC(C)(CO)c1cc(F)c(CC(=O)Nc2ccnc(C(=O)NC3(C#N)CCOCC3)c2)cc1O
InChIInChI=1S/C24H27FN4O5/c1-23(2,14-30)17-12-18(25)15(9-20(17)31)10-21(32)28-16-3-6-27-19(11-16)22(33)29-24(13-26)4-7-34-8-5-24/h3,6,9,11-12,30-31H,4-5,7-8,10,14H2,1-2H3,(H,29,33)(H,27,28,32)
InChIKeyUEBDEUSZPQUIDV-UHFFFAOYSA-N
XLogP2.18
TPSA144.57 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.50
LogP ≤ 52.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-cyanooxan-4-yl)-4-[[2-(5-fluoro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide
CID 139366506
4-[[2-(4-tert-butyl-2-chloro-5-hydroxyphenyl)acetyl]amino]-N-(1-cyanocyclopropyl)pyridine-2-carboxamide
CID 155588572
N-(4-cyanooxan-4-yl)-4-[(2-quinolin-6-ylacetyl)amino]pyridine-2-carboxamide
CID 139347848
N-tert-butyl-4-[[2-[4-(2-cyanopropan-2-yl)-2-fluoro-5-hydroxyphenyl]acetyl]amino]pyridine-2-carboxamide
CID 155588543
4-[[2-(4-tert-butyl-2-fluoro-5-hydroxyphenyl)acetyl]amino]-N-[(1R)-1-cyanoethyl]pyridine-2-carboxamide
CID 155588668
N-(4-cyanooxan-4-yl)-4-[[2-(1H-indazol-6-yl)acetyl]amino]pyridine-2-carboxamide
CID 155588700
4-[[2-(4-tert-butyl-2-fluoro-5-hydroxyphenyl)acetyl]amino]pyridine-2-carboxylic acid
CID 155588632
4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-2-carboxamide
CID 139347861
4-[3-(5-tert-butyl-2-hydroxyphenyl)-2-oxopropyl]-N-(4-cyanooxan-4-yl)pyridine-2-carboxamide
CID 158541890
N-tert-butyl-4-[[2-(4-chloro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide
CID 139348454
4-[[2-(6-fluoro-4,4-dimethyl-2-oxo-3H-chromen-7-yl)acetyl]amino]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide
CID 155588658
4-[[2-[2-deuterio-6-fluoro-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-3-hydroxyphenyl]acetyl]amino]pyridine-2-carboxylic acid
CID 164521183

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanooxan-4-yl)-4-[[2-[2-fluoro-5-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)phenyl]acetyl]amino]pyridine-2-carboxamide?
The IUPAC name of 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) is N-(4-cyanooxan-4-yl)-4-[[2-[2-fluoro-5-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)phenyl]acetyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for N-(4-cyanooxan-4-yl)-4-[[2-[2-fluoro-5-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)phenyl]acetyl]amino]pyridine-2-carboxamide?
The canonical SMILES for N-(4-cyanooxan-4-yl)-4-[[2-[2-fluoro-5-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)phenyl]acetyl]amino]pyridine-2-carboxamide is CC(C)(CO)c1cc(F)c(CC(=O)Nc2ccnc(C(=O)NC3(C#N)CCOCC3)c2)cc1O.
What is the InChIKey of N-(4-cyanooxan-4-yl)-4-[[2-[2-fluoro-5-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)phenyl]acetyl]amino]pyridine-2-carboxamide?
The InChIKey is UEBDEUSZPQUIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O5/c1-23(2,14-30)17-12-18(25)15(9-20(17)31)10-21(32)28-16-3-6-27-19(11-16)22(33)29-24(13-26)4-7-34-8-5-24/h3,6,9,11-12,30-31H,4-5,7-8,10,14H2,1-2H3,(H,29,33)(H,27,28,32).
What are the key properties of N-(4-cyanooxan-4-yl)-4-[[2-[2-fluoro-5-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)phenyl]acetyl]amino]pyridine-2-carboxamide?
N-(4-cyanooxan-4-yl)-4-[[2-[2-fluoro-5-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)phenyl]acetyl]amino]pyridine-2-carboxamide has a molecular weight of 470.50 g/mol, XLogP of 2.18, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanooxan-4-yl)-4-[[2-[2-fluoro-5-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)phenyl]acetyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 155588575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).