N-(4-chloro-2-methylphenyl)-4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide

C21H23ClN6O2 — CID 53134103

IUPACN-(4-chloro-2-methylphenyl)-4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide
SMILESCCc1nnc(-c2cccnc2N2CCN(C(=O)Nc3ccc(Cl)cc3C)CC2)o1
InChIInChI=1S/C21H23ClN6O2/c1-3-18-25-26-20(30-18)16-5-4-8-23-19(16)27-9-11-28(12-10-27)21(29)24-17-7-6-15(22)13-14(17)2/h4-8,13H,3,9-12H2,1-2H3,(H,24,29)
InChIKeyJOUAQAQJVMWVAS-UHFFFAOYSA-N
MW426.91 g/mol
LogP4.01
Rot. Bonds4

About N-(4-chloro-2-methylphenyl)-4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide

N-(4-chloro-2-methylphenyl)-4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide (PubChem CID 53134103) has the molecular formula C21H23ClN6O2 and a molecular weight of 426.91 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide
PubChem CID53134103
Molecular FormulaC21H23ClN6O2
Molecular Weight426.91 g/mol
Exact Mass426.16
IUPAC NameN-(4-chloro-2-methylphenyl)-4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide
SMILESCCc1nnc(-c2cccnc2N2CCN(C(=O)Nc3ccc(Cl)cc3C)CC2)o1
InChIInChI=1S/C21H23ClN6O2/c1-3-18-25-26-20(30-18)16-5-4-8-23-19(16)27-9-11-28(12-10-27)21(29)24-17-7-6-15(22)13-14(17)2/h4-8,13H,3,9-12H2,1-2H3,(H,24,29)
InChIKeyJOUAQAQJVMWVAS-UHFFFAOYSA-N
XLogP4.01
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.91
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-chloro-2-methylphenyl)-4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide with MolForge

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Related Compounds

1-[4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-3-methylbutan-1-one
CID 87050172
1-[4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 53134096
N-(4-chloro-2-methylphenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 113113207
4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxylic acid
CID 139512630
N-(4-chloro-2-methylphenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 113113238
N-(4-chloro-2-methylphenyl)-4-(4-cyanophenyl)piperazine-1-carboxamide
CID 113113234
N-(4-chloro-2-methylphenyl)-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 108950998
4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 71843277
4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 53134237
N-(4-chloro-2-methylphenyl)piperazine-1-carboxamide
CID 22615613
2-[4-[(3-chlorophenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 110397197
N-(4-chloro-2-methylphenyl)-4-(cyclopropanecarbonyl)piperazine-1-carboxamide
CID 47031993

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide (CID 53134103) is N-(4-chloro-2-methylphenyl)-4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide is CCc1nnc(-c2cccnc2N2CCN(C(=O)Nc3ccc(Cl)cc3C)CC2)o1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide?
The InChIKey is JOUAQAQJVMWVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN6O2/c1-3-18-25-26-20(30-18)16-5-4-8-23-19(16)27-9-11-28(12-10-27)21(29)24-17-7-6-15(22)13-14(17)2/h4-8,13H,3,9-12H2,1-2H3,(H,24,29).
What are the key properties of N-(4-chloro-2-methylphenyl)-4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide?
N-(4-chloro-2-methylphenyl)-4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide has a molecular weight of 426.91 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide is sourced from PubChem (CID 53134103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).