4-[[2-(4-tert-butyl-2-chloro-5-hydroxyphenyl)acetyl]amino]-N-(1-cyanocyclopropyl)pyridine-2-carboxamide

C22H23ClN4O3 — CID 155588572

IUPAC4-[[2-(4-tert-butyl-2-chloro-5-hydroxyphenyl)acetyl]amino]-N-(1-cyanocyclopropyl)pyridine-2-carboxamide
SMILESCC(C)(C)c1cc(Cl)c(CC(=O)Nc2ccnc(C(=O)NC3(C#N)CC3)c2)cc1O
InChIInChI=1S/C22H23ClN4O3/c1-21(2,3)15-11-16(23)13(8-18(15)28)9-19(29)26-14-4-7-25-17(10-14)20(30)27-22(12-24)5-6-22/h4,7-8,10-11,28H,5-6,9H2,1-3H3,(H,27,30)(H,25,26,29)
InChIKeyOKEURXRDVNWINL-UHFFFAOYSA-N
MW426.90 g/mol
LogP3.71
Rot. Bonds5

About 4-[[2-(4-tert-butyl-2-chloro-5-hydroxyphenyl)acetyl]amino]-N-(1-cyanocyclopropyl)pyridine-2-carboxamide

4-[[2-(4-tert-butyl-2-chloro-5-hydroxyphenyl)acetyl]amino]-N-(1-cyanocyclopropyl)pyridine-2-carboxamide (PubChem CID 155588572) has the molecular formula C22H23ClN4O3 and a molecular weight of 426.90 g/mol. Its IUPAC name is 4-[[2-(4-tert-butyl-2-chloro-5-hydroxyphenyl)acetyl]amino]-N-(1-cyanocyclopropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[2-(4-tert-butyl-2-chloro-5-hydroxyphenyl)acetyl]amino]-N-(1-cyanocyclopropyl)pyridine-2-carboxamide
PubChem CID155588572
Molecular FormulaC22H23ClN4O3
Molecular Weight426.90 g/mol
Exact Mass426.15
IUPAC Name4-[[2-(4-tert-butyl-2-chloro-5-hydroxyphenyl)acetyl]amino]-N-(1-cyanocyclopropyl)pyridine-2-carboxamide
SMILESCC(C)(C)c1cc(Cl)c(CC(=O)Nc2ccnc(C(=O)NC3(C#N)CC3)c2)cc1O
InChIInChI=1S/C22H23ClN4O3/c1-21(2,3)15-11-16(23)13(8-18(15)28)9-19(29)26-14-4-7-25-17(10-14)20(30)27-22(12-24)5-6-22/h4,7-8,10-11,28H,5-6,9H2,1-3H3,(H,27,30)(H,25,26,29)
InChIKeyOKEURXRDVNWINL-UHFFFAOYSA-N
XLogP3.71
TPSA115.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[2-(4-tert-butyl-2-chloro-5-hydroxyphenyl)acetyl]amino]-N-(1-cyanocyclopropyl)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

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-tert-butyl-2-chloro-5-hydroxyphenyl)acetyl]amino]-N-(1-cyanocyclopropyl)pyridine-2-carboxamide?
The IUPAC name of 4-[[2-(4-tert-butyl-2-chloro-5-hydroxyphenyl)acetyl]amino]-N-(1-cyanocyclopropyl)pyridine-2-carboxamide (CID 155588572) is 4-[[2-(4-tert-butyl-2-chloro-5-hydroxyphenyl)acetyl]amino]-N-(1-cyanocyclopropyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[[2-(4-tert-butyl-2-chloro-5-hydroxyphenyl)acetyl]amino]-N-(1-cyanocyclopropyl)pyridine-2-carboxamide?
The canonical SMILES for 4-[[2-(4-tert-butyl-2-chloro-5-hydroxyphenyl)acetyl]amino]-N-(1-cyanocyclopropyl)pyridine-2-carboxamide is CC(C)(C)c1cc(Cl)c(CC(=O)Nc2ccnc(C(=O)NC3(C#N)CC3)c2)cc1O.
What is the InChIKey of 4-[[2-(4-tert-butyl-2-chloro-5-hydroxyphenyl)acetyl]amino]-N-(1-cyanocyclopropyl)pyridine-2-carboxamide?
The InChIKey is OKEURXRDVNWINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O3/c1-21(2,3)15-11-16(23)13(8-18(15)28)9-19(29)26-14-4-7-25-17(10-14)20(30)27-22(12-24)5-6-22/h4,7-8,10-11,28H,5-6,9H2,1-3H3,(H,27,30)(H,25,26,29).
What are the key properties of 4-[[2-(4-tert-butyl-2-chloro-5-hydroxyphenyl)acetyl]amino]-N-(1-cyanocyclopropyl)pyridine-2-carboxamide?
4-[[2-(4-tert-butyl-2-chloro-5-hydroxyphenyl)acetyl]amino]-N-(1-cyanocyclopropyl)pyridine-2-carboxamide has a molecular weight of 426.90 g/mol, XLogP of 3.71, 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-chloro-5-hydroxyphenyl)acetyl]amino]-N-(1-cyanocyclopropyl)pyridine-2-carboxamide is sourced from PubChem (CID 155588572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).