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

C23H28N6O2 — CID 53134118

IUPACN-(2-ethylphenyl)-4-[3-(5-propyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide
SMILESCCCc1nnc(-c2cccnc2N2CCN(C(=O)Nc3ccccc3CC)CC2)o1
InChIInChI=1S/C23H28N6O2/c1-3-8-20-26-27-22(31-20)18-10-7-12-24-21(18)28-13-15-29(16-14-28)23(30)25-19-11-6-5-9-17(19)4-2/h5-7,9-12H,3-4,8,13-16H2,1-2H3,(H,25,30)
InChIKeyGUPDNYXNTIKCGM-UHFFFAOYSA-N
MW420.52 g/mol
LogP4.00
Rot. Bonds6

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

N-(2-ethylphenyl)-4-[3-(5-propyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide (PubChem CID 53134118) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is N-(2-ethylphenyl)-4-[3-(5-propyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-4-[3-(5-propyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide
PubChem CID53134118
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC NameN-(2-ethylphenyl)-4-[3-(5-propyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide
SMILESCCCc1nnc(-c2cccnc2N2CCN(C(=O)Nc3ccccc3CC)CC2)o1
InChIInChI=1S/C23H28N6O2/c1-3-8-20-26-27-22(31-20)18-10-7-12-24-21(18)28-13-15-29(16-14-28)23(30)25-19-11-6-5-9-17(19)4-2/h5-7,9-12H,3-4,8,13-16H2,1-2H3,(H,25,30)
InChIKeyGUPDNYXNTIKCGM-UHFFFAOYSA-N
XLogP4.00
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-4-[3-(5-propyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-4-[3-(5-propyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide (CID 53134118) is N-(2-ethylphenyl)-4-[3-(5-propyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-4-[3-(5-propyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-4-[3-(5-propyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide is CCCc1nnc(-c2cccnc2N2CCN(C(=O)Nc3ccccc3CC)CC2)o1.
What is the InChIKey of N-(2-ethylphenyl)-4-[3-(5-propyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide?
The InChIKey is GUPDNYXNTIKCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-3-8-20-26-27-22(31-20)18-10-7-12-24-21(18)28-13-15-29(16-14-28)23(30)25-19-11-6-5-9-17(19)4-2/h5-7,9-12H,3-4,8,13-16H2,1-2H3,(H,25,30).
What are the key properties of N-(2-ethylphenyl)-4-[3-(5-propyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide?
N-(2-ethylphenyl)-4-[3-(5-propyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide has a molecular weight of 420.52 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-4-[3-(5-propyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide is sourced from PubChem (CID 53134118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).