6-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide

C23H32N4O3 — CID 67466224

IUPAC6-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
SMILESNC(=O)CC1CCN(c2cccc(C(=O)NC3C4CC5CC3CC(O)(C5)C4)n2)CC1
InChIInChI=1S/C23H32N4O3/c24-19(28)10-14-4-6-27(7-5-14)20-3-1-2-18(25-20)22(29)26-21-16-8-15-9-17(21)13-23(30,11-15)12-16/h1-3,14-17,21,30H,4-13H2,(H2,24,28)(H,26,29)
InChIKeyWZAVYFBQDHPIGI-UHFFFAOYSA-N
MW412.53 g/mol
LogP1.84
Rot. Bonds5

About 6-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide

6-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide (PubChem CID 67466224) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is 6-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
PubChem CID67466224
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC Name6-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
SMILESNC(=O)CC1CCN(c2cccc(C(=O)NC3C4CC5CC3CC(O)(C5)C4)n2)CC1
InChIInChI=1S/C23H32N4O3/c24-19(28)10-14-4-6-27(7-5-14)20-3-1-2-18(25-20)22(29)26-21-16-8-15-9-17(21)13-23(30,11-15)12-16/h1-3,14-17,21,30H,4-13H2,(H2,24,28)(H,26,29)
InChIKeyWZAVYFBQDHPIGI-UHFFFAOYSA-N
XLogP1.84
TPSA108.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)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 6-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide?
The IUPAC name of 6-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide (CID 67466224) is 6-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide?
The canonical SMILES for 6-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide is NC(=O)CC1CCN(c2cccc(C(=O)NC3C4CC5CC3CC(O)(C5)C4)n2)CC1.
What is the InChIKey of 6-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide?
The InChIKey is WZAVYFBQDHPIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3/c24-19(28)10-14-4-6-27(7-5-14)20-3-1-2-18(25-20)22(29)26-21-16-8-15-9-17(21)13-23(30,11-15)12-16/h1-3,14-17,21,30H,4-13H2,(H2,24,28)(H,26,29).
What are the key properties of 6-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide?
6-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide has a molecular weight of 412.53 g/mol, XLogP of 1.84, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide is sourced from PubChem (CID 67466224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).