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

C21H21FN6O2 — CID 53134237

IUPAC4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-(3-fluorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CCN(c2ncccc2-c2nnc(C3CC3)o2)CC1
InChIInChI=1S/C21H21FN6O2/c22-15-3-1-4-16(13-15)24-21(29)28-11-9-27(10-12-28)18-17(5-2-8-23-18)20-26-25-19(30-20)14-6-7-14/h1-5,8,13-14H,6-7,9-12H2,(H,24,29)
InChIKeyHCSDMTKHYCGYNB-UHFFFAOYSA-N
MW408.44 g/mol
LogP3.50
Rot. Bonds4

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

4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-(3-fluorophenyl)piperazine-1-carboxamide (PubChem CID 53134237) has the molecular formula C21H21FN6O2 and a molecular weight of 408.44 g/mol. Its IUPAC name is 4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-(3-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-(3-fluorophenyl)piperazine-1-carboxamide
PubChem CID53134237
Molecular FormulaC21H21FN6O2
Molecular Weight408.44 g/mol
Exact Mass408.17
IUPAC Name4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-(3-fluorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CCN(c2ncccc2-c2nnc(C3CC3)o2)CC1
InChIInChI=1S/C21H21FN6O2/c22-15-3-1-4-16(13-15)24-21(29)28-11-9-27(10-12-28)18-17(5-2-8-23-18)20-26-25-19(30-20)14-6-7-14/h1-5,8,13-14H,6-7,9-12H2,(H,24,29)
InChIKeyHCSDMTKHYCGYNB-UHFFFAOYSA-N
XLogP3.50
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-(2-phenylethyl)piperazine-1-carboxamide
CID 53134235
4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-(3-methylbutyl)piperazine-1-carboxamide
CID 87050197
[4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-(4-methoxy-2-methylphenyl)methanone
CID 53134203
(5-chloro-2-methoxyphenyl)-[4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone
CID 53134204
N-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 6469622
1-N-(3-fluorophenyl)piperidine-1,4-dicarboxamide
CID 108893994
N-(3-chlorophenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
CID 121069742
N-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 84576179
2-[4-[(3-chlorophenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 110397197
N-(4-chloro-2-methylphenyl)-4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide
CID 53134103
N-(3-fluorophenyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56923346
4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxylic acid
CID 139512630

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-(3-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-(3-fluorophenyl)piperazine-1-carboxamide (CID 53134237) is 4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-(3-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-(3-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-(3-fluorophenyl)piperazine-1-carboxamide is O=C(Nc1cccc(F)c1)N1CCN(c2ncccc2-c2nnc(C3CC3)o2)CC1.
What is the InChIKey of 4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-(3-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is HCSDMTKHYCGYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6O2/c22-15-3-1-4-16(13-15)24-21(29)28-11-9-27(10-12-28)18-17(5-2-8-23-18)20-26-25-19(30-20)14-6-7-14/h1-5,8,13-14H,6-7,9-12H2,(H,24,29).
What are the key properties of 4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-(3-fluorophenyl)piperazine-1-carboxamide?
4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-(3-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 408.44 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-(3-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 53134237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).