4-[[2-(4-tert-butyl-2-fluoro-5-hydroxyphenyl)acetyl]amino]-N-[(1R)-1-cyanoethyl]pyridine-2-carboxamide

C21H23FN4O3 — CID 155588668

IUPAC4-[[2-(4-tert-butyl-2-fluoro-5-hydroxyphenyl)acetyl]amino]-N-[(1R)-1-cyanoethyl]pyridine-2-carboxamide
SMILESC[C@H](C#N)NC(=O)c1cc(NC(=O)Cc2cc(O)c(C(C)(C)C)cc2F)ccn1
InChIInChI=1S/C21H23FN4O3/c1-12(11-23)25-20(29)17-9-14(5-6-24-17)26-19(28)8-13-7-18(27)15(10-16(13)22)21(2,3)4/h5-7,9-10,12,27H,8H2,1-4H3,(H,25,29)(H,24,26,28)/t12-/m1/s1
InChIKeyKGXKPIJMZZABAQ-GFCCVEGCSA-N
MW398.44 g/mol
LogP3.05
Rot. Bonds5

About 4-[[2-(4-tert-butyl-2-fluoro-5-hydroxyphenyl)acetyl]amino]-N-[(1R)-1-cyanoethyl]pyridine-2-carboxamide

4-[[2-(4-tert-butyl-2-fluoro-5-hydroxyphenyl)acetyl]amino]-N-[(1R)-1-cyanoethyl]pyridine-2-carboxamide (PubChem CID 155588668) has the molecular formula C21H23FN4O3 and a molecular weight of 398.44 g/mol. Its IUPAC name is 4-[[2-(4-tert-butyl-2-fluoro-5-hydroxyphenyl)acetyl]amino]-N-[(1R)-1-cyanoethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[2-(4-tert-butyl-2-fluoro-5-hydroxyphenyl)acetyl]amino]-N-[(1R)-1-cyanoethyl]pyridine-2-carboxamide
PubChem CID155588668
Molecular FormulaC21H23FN4O3
Molecular Weight398.44 g/mol
Exact Mass398.18
IUPAC Name4-[[2-(4-tert-butyl-2-fluoro-5-hydroxyphenyl)acetyl]amino]-N-[(1R)-1-cyanoethyl]pyridine-2-carboxamide
SMILESC[C@H](C#N)NC(=O)c1cc(NC(=O)Cc2cc(O)c(C(C)(C)C)cc2F)ccn1
InChIInChI=1S/C21H23FN4O3/c1-12(11-23)25-20(29)17-9-14(5-6-24-17)26-19(28)8-13-7-18(27)15(10-16(13)22)21(2,3)4/h5-7,9-10,12,27H,8H2,1-4H3,(H,25,29)(H,24,26,28)/t12-/m1/s1
InChIKeyKGXKPIJMZZABAQ-GFCCVEGCSA-N
XLogP3.05
TPSA115.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[2-(4-tert-butyl-2-fluoro-5-hydroxyphenyl)acetyl]amino]-N-[(1R)-1-cyanoethyl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[2-(4-tert-butyl-2-fluoro-5-hydroxyphenyl)acetyl]amino]pyridine-2-carboxylic acid
CID 155588632
N-tert-butyl-4-[[2-[4-(2-cyanopropan-2-yl)-2-fluoro-5-hydroxyphenyl]acetyl]amino]pyridine-2-carboxamide
CID 155588543
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
4-[[2-(4-tert-butyl-2-chloro-5-hydroxyphenyl)acetyl]amino]-N-(1-cyanocyclopropyl)pyridine-2-carboxamide
CID 155588572
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
N-tert-butyl-4-[[2-(4-chloro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide
CID 139348454
4-[[2-[2-hydroxy-4-(trifluoromethyl)phenyl]acetyl]amino]-N-(2-methylbut-3-yn-2-yl)pyridine-2-carboxamide
CID 139348232
N-tert-butyl-4-[[2-(4-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide
CID 175058901
N-tert-butyl-4-[[2-(5-fluoro-2-methoxyphenyl)acetyl]amino]pyridine-2-carboxamide
CID 139348177
4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-(2-methylpentan-2-yl)pyridine-2-carboxamide
CID 139347713
N-tert-butyl-4-[[2-(5-chloro-2-hydroxy-3-propan-2-ylphenyl)acetyl]amino]pyridine-2-carboxamide
CID 139348461
N-[(1S)-1-cyanoethyl]-4-fluoro-5-propan-2-ylpyridine-2-carboxamide
CID 167320750

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-tert-butyl-2-fluoro-5-hydroxyphenyl)acetyl]amino]-N-[(1R)-1-cyanoethyl]pyridine-2-carboxamide?
The IUPAC name of 4-[[2-(4-tert-butyl-2-fluoro-5-hydroxyphenyl)acetyl]amino]-N-[(1R)-1-cyanoethyl]pyridine-2-carboxamide (CID 155588668) is 4-[[2-(4-tert-butyl-2-fluoro-5-hydroxyphenyl)acetyl]amino]-N-[(1R)-1-cyanoethyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[[2-(4-tert-butyl-2-fluoro-5-hydroxyphenyl)acetyl]amino]-N-[(1R)-1-cyanoethyl]pyridine-2-carboxamide?
The canonical SMILES for 4-[[2-(4-tert-butyl-2-fluoro-5-hydroxyphenyl)acetyl]amino]-N-[(1R)-1-cyanoethyl]pyridine-2-carboxamide is C[C@H](C#N)NC(=O)c1cc(NC(=O)Cc2cc(O)c(C(C)(C)C)cc2F)ccn1.
What is the InChIKey of 4-[[2-(4-tert-butyl-2-fluoro-5-hydroxyphenyl)acetyl]amino]-N-[(1R)-1-cyanoethyl]pyridine-2-carboxamide?
The InChIKey is KGXKPIJMZZABAQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C21H23FN4O3/c1-12(11-23)25-20(29)17-9-14(5-6-24-17)26-19(28)8-13-7-18(27)15(10-16(13)22)21(2,3)4/h5-7,9-10,12,27H,8H2,1-4H3,(H,25,29)(H,24,26,28)/t12-/m1/s1.
What are the key properties of 4-[[2-(4-tert-butyl-2-fluoro-5-hydroxyphenyl)acetyl]amino]-N-[(1R)-1-cyanoethyl]pyridine-2-carboxamide?
4-[[2-(4-tert-butyl-2-fluoro-5-hydroxyphenyl)acetyl]amino]-N-[(1R)-1-cyanoethyl]pyridine-2-carboxamide has a molecular weight of 398.44 g/mol, XLogP of 3.05, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-tert-butyl-2-fluoro-5-hydroxyphenyl)acetyl]amino]-N-[(1R)-1-cyanoethyl]pyridine-2-carboxamide is sourced from PubChem (CID 155588668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).