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

C22H23ClN6O3 — CID 121073239

IUPACN-(5-chloro-2-methoxyphenyl)-4-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)N1CCN(c2ccc(-c3noc(C4CC4)n3)cn2)CC1
InChIInChI=1S/C22H23ClN6O3/c1-31-18-6-5-16(23)12-17(18)25-22(30)29-10-8-28(9-11-29)19-7-4-15(13-24-19)20-26-21(32-27-20)14-2-3-14/h4-7,12-14H,2-3,8-11H2,1H3,(H,25,30)
InChIKeyTZXXYUBHTQMLME-UHFFFAOYSA-N
MW454.92 g/mol
LogP4.03
Rot. Bonds5

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

N-(5-chloro-2-methoxyphenyl)-4-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carboxamide (PubChem CID 121073239) has the molecular formula C22H23ClN6O3 and a molecular weight of 454.92 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-4-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-4-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carboxamide
PubChem CID121073239
Molecular FormulaC22H23ClN6O3
Molecular Weight454.92 g/mol
Exact Mass454.15
IUPAC NameN-(5-chloro-2-methoxyphenyl)-4-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)N1CCN(c2ccc(-c3noc(C4CC4)n3)cn2)CC1
InChIInChI=1S/C22H23ClN6O3/c1-31-18-6-5-16(23)12-17(18)25-22(30)29-10-8-28(9-11-29)19-7-4-15(13-24-19)20-26-21(32-27-20)14-2-3-14/h4-7,12-14H,2-3,8-11H2,1H3,(H,25,30)
InChIKeyTZXXYUBHTQMLME-UHFFFAOYSA-N
XLogP4.03
TPSA96.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.92
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide
CID 121095489
1-(4-chlorophenyl)-4-[4-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]butane-1,4-dione
CID 90491486
[4-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-[3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 121073232
N-(2-methoxy-5-methylphenyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 24731278
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 95116605
N-(5-chloro-2-methoxyphenyl)-4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 122341864
N-(5-chloro-2-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109152557
methyl 4-[(5-chloro-2-methoxyphenyl)carbamoyl]piperazine-1-carboxylate
CID 108875630
3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,4-dimethoxyphenyl)piperidine-1-carboxamide
CID 3989669
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,5-dimethylphenyl)piperidine-1-carboxamide
CID 50769457
N-(2-bromophenyl)-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 42760920
N-(2,4-dichlorophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 5207523

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carboxamide (CID 121073239) is N-(5-chloro-2-methoxyphenyl)-4-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-4-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-4-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carboxamide is COc1ccc(Cl)cc1NC(=O)N1CCN(c2ccc(-c3noc(C4CC4)n3)cn2)CC1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-4-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carboxamide?
The InChIKey is TZXXYUBHTQMLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN6O3/c1-31-18-6-5-16(23)12-17(18)25-22(30)29-10-8-28(9-11-29)19-7-4-15(13-24-19)20-26-21(32-27-20)14-2-3-14/h4-7,12-14H,2-3,8-11H2,1H3,(H,25,30).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-4-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carboxamide?
N-(5-chloro-2-methoxyphenyl)-4-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carboxamide has a molecular weight of 454.92 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-4-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carboxamide is sourced from PubChem (CID 121073239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).