N-(2-hydroxyethyl)-2-methyl-6-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]pyridine-3-carboxamide

C22H33N5O4 — CID 24987190

IUPACN-(2-hydroxyethyl)-2-methyl-6-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]pyridine-3-carboxamide
SMILESCc1nc(OCCCC2CCN(c3nc(C(C)C)no3)CC2)ccc1C(=O)NCCO
InChIInChI=1S/C22H33N5O4/c1-15(2)20-25-22(31-26-20)27-11-8-17(9-12-27)5-4-14-30-19-7-6-18(16(3)24-19)21(29)23-10-13-28/h6-7,15,17,28H,4-5,8-14H2,1-3H3,(H,23,29)
InChIKeyLGJOTKRPLZOEGR-UHFFFAOYSA-N
MW431.54 g/mol
LogP2.69
Rot. Bonds10

About N-(2-hydroxyethyl)-2-methyl-6-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]pyridine-3-carboxamide

N-(2-hydroxyethyl)-2-methyl-6-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]pyridine-3-carboxamide (PubChem CID 24987190) has the molecular formula C22H33N5O4 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-methyl-6-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-methyl-6-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]pyridine-3-carboxamide
PubChem CID24987190
Molecular FormulaC22H33N5O4
Molecular Weight431.54 g/mol
Exact Mass431.25
IUPAC NameN-(2-hydroxyethyl)-2-methyl-6-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]pyridine-3-carboxamide
SMILESCc1nc(OCCCC2CCN(c3nc(C(C)C)no3)CC2)ccc1C(=O)NCCO
InChIInChI=1S/C22H33N5O4/c1-15(2)20-25-22(31-26-20)27-11-8-17(9-12-27)5-4-14-30-19-7-6-18(16(3)24-19)21(29)23-10-13-28/h6-7,15,17,28H,4-5,8-14H2,1-3H3,(H,23,29)
InChIKeyLGJOTKRPLZOEGR-UHFFFAOYSA-N
XLogP2.69
TPSA113.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-methyl-6-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]pyridine-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-2-methyl-6-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]pyridine-3-carboxamide (CID 24987190) is N-(2-hydroxyethyl)-2-methyl-6-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-methyl-6-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]pyridine-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-methyl-6-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]pyridine-3-carboxamide is Cc1nc(OCCCC2CCN(c3nc(C(C)C)no3)CC2)ccc1C(=O)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-2-methyl-6-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]pyridine-3-carboxamide?
The InChIKey is LGJOTKRPLZOEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O4/c1-15(2)20-25-22(31-26-20)27-11-8-17(9-12-27)5-4-14-30-19-7-6-18(16(3)24-19)21(29)23-10-13-28/h6-7,15,17,28H,4-5,8-14H2,1-3H3,(H,23,29).
What are the key properties of N-(2-hydroxyethyl)-2-methyl-6-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]pyridine-3-carboxamide?
N-(2-hydroxyethyl)-2-methyl-6-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]pyridine-3-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 2.69, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-methyl-6-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]pyridine-3-carboxamide is sourced from PubChem (CID 24987190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).