N-(3-methoxyphenyl)-4-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide

C22H26N6O3 — CID 53134171

IUPACN-(3-methoxyphenyl)-4-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCN(c3ncccc3-c3nnc(C(C)C)o3)CC2)c1
InChIInChI=1S/C22H26N6O3/c1-15(2)20-25-26-21(31-20)18-8-5-9-23-19(18)27-10-12-28(13-11-27)22(29)24-16-6-4-7-17(14-16)30-3/h4-9,14-15H,10-13H2,1-3H3,(H,24,29)
InChIKeyOJJZBHVTYPJPPH-UHFFFAOYSA-N
MW422.49 g/mol
LogP3.62
Rot. Bonds5

About N-(3-methoxyphenyl)-4-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide

N-(3-methoxyphenyl)-4-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide (PubChem CID 53134171) has the molecular formula C22H26N6O3 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide
PubChem CID53134171
Molecular FormulaC22H26N6O3
Molecular Weight422.49 g/mol
Exact Mass422.21
IUPAC NameN-(3-methoxyphenyl)-4-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCN(c3ncccc3-c3nnc(C(C)C)o3)CC2)c1
InChIInChI=1S/C22H26N6O3/c1-15(2)20-25-26-21(31-20)18-8-5-9-23-19(18)27-10-12-28(13-11-27)22(29)24-16-6-4-7-17(14-16)30-3/h4-9,14-15H,10-13H2,1-3H3,(H,24,29)
InChIKeyOJJZBHVTYPJPPH-UHFFFAOYSA-N
XLogP3.62
TPSA96.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-4-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide (CID 53134171) is N-(3-methoxyphenyl)-4-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-4-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-4-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide is COc1cccc(NC(=O)N2CCN(c3ncccc3-c3nnc(C(C)C)o3)CC2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide?
The InChIKey is OJJZBHVTYPJPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O3/c1-15(2)20-25-26-21(31-20)18-8-5-9-23-19(18)27-10-12-28(13-11-27)22(29)24-16-6-4-7-17(14-16)30-3/h4-9,14-15H,10-13H2,1-3H3,(H,24,29).
What are the key properties of N-(3-methoxyphenyl)-4-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide?
N-(3-methoxyphenyl)-4-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide is sourced from PubChem (CID 53134171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).