N-(4-aminophenyl)-5-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypyridine-2-carboxamide

C22H30N4O2 — CID 67125892

IUPACN-(4-aminophenyl)-5-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypyridine-2-carboxamide
SMILESCN1C(C)(C)CC(Oc2ccc(C(=O)Nc3ccc(N)cc3)nc2)CC1(C)C
InChIInChI=1S/C22H30N4O2/c1-21(2)12-18(13-22(3,4)26(21)5)28-17-10-11-19(24-14-17)20(27)25-16-8-6-15(23)7-9-16/h6-11,14,18H,12-13,23H2,1-5H3,(H,25,27)
InChIKeyQWSBDVHJBIZULT-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.95
Rot. Bonds4

About N-(4-aminophenyl)-5-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypyridine-2-carboxamide

N-(4-aminophenyl)-5-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypyridine-2-carboxamide (PubChem CID 67125892) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-(4-aminophenyl)-5-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-5-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypyridine-2-carboxamide
PubChem CID67125892
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC NameN-(4-aminophenyl)-5-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypyridine-2-carboxamide
SMILESCN1C(C)(C)CC(Oc2ccc(C(=O)Nc3ccc(N)cc3)nc2)CC1(C)C
InChIInChI=1S/C22H30N4O2/c1-21(2)12-18(13-22(3,4)26(21)5)28-17-10-11-19(24-14-17)20(27)25-16-8-6-15(23)7-9-16/h6-11,14,18H,12-13,23H2,1-5H3,(H,25,27)
InChIKeyQWSBDVHJBIZULT-UHFFFAOYSA-N
XLogP3.95
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-5-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypyridine-2-carboxamide?
The IUPAC name of N-(4-aminophenyl)-5-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypyridine-2-carboxamide (CID 67125892) is N-(4-aminophenyl)-5-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypyridine-2-carboxamide.
What is the SMILES notation for N-(4-aminophenyl)-5-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypyridine-2-carboxamide?
The canonical SMILES for N-(4-aminophenyl)-5-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypyridine-2-carboxamide is CN1C(C)(C)CC(Oc2ccc(C(=O)Nc3ccc(N)cc3)nc2)CC1(C)C.
What is the InChIKey of N-(4-aminophenyl)-5-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypyridine-2-carboxamide?
The InChIKey is QWSBDVHJBIZULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-21(2)12-18(13-22(3,4)26(21)5)28-17-10-11-19(24-14-17)20(27)25-16-8-6-15(23)7-9-16/h6-11,14,18H,12-13,23H2,1-5H3,(H,25,27).
What are the key properties of N-(4-aminophenyl)-5-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypyridine-2-carboxamide?
N-(4-aminophenyl)-5-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypyridine-2-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-5-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypyridine-2-carboxamide is sourced from PubChem (CID 67125892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).