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

C23H26N6O2 — CID 53134235

IUPAC4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-(2-phenylethyl)piperazine-1-carboxamide
SMILESO=C(NCCc1ccccc1)N1CCN(c2ncccc2-c2nnc(C3CC3)o2)CC1
InChIInChI=1S/C23H26N6O2/c30-23(25-12-10-17-5-2-1-3-6-17)29-15-13-28(14-16-29)20-19(7-4-11-24-20)22-27-26-21(31-22)18-8-9-18/h1-7,11,18H,8-10,12-16H2,(H,25,30)
InChIKeyNJGWLOCMKMNBIP-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.08
Rot. Bonds6

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

4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-(2-phenylethyl)piperazine-1-carboxamide (PubChem CID 53134235) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-(2-phenylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-(2-phenylethyl)piperazine-1-carboxamide
PubChem CID53134235
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-(2-phenylethyl)piperazine-1-carboxamide
SMILESO=C(NCCc1ccccc1)N1CCN(c2ncccc2-c2nnc(C3CC3)o2)CC1
InChIInChI=1S/C23H26N6O2/c30-23(25-12-10-17-5-2-1-3-6-17)29-15-13-28(14-16-29)20-19(7-4-11-24-20)22-27-26-21(31-22)18-8-9-18/h1-7,11,18H,8-10,12-16H2,(H,25,30)
InChIKeyNJGWLOCMKMNBIP-UHFFFAOYSA-N
XLogP3.08
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

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]-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 53134237
1-[4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 53134222
1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-4-phenylbutan-1-one
CID 53134037
4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 71843277
N-(2-phenylethyl)-4-pyrimidin-2-yl-1,4-diazepane-1-carboxamide
CID 119074881
4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxylic acid
CID 139512630
(5-chloro-2-methoxyphenyl)-[4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone
CID 53134204
[4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-(4-methoxy-2-methylphenyl)methanone
CID 53134203
2-[4-(benzylcarbamoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 110397212
3-[4-(3-chloro-2-pyridinyl)piperazine-1-carbonyl]-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide
CID 16665411
N-[(4-methoxyphenyl)methyl]-4-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide
CID 53134186

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-(2-phenylethyl)piperazine-1-carboxamide?
The IUPAC name of 4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-(2-phenylethyl)piperazine-1-carboxamide (CID 53134235) is 4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-(2-phenylethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-(2-phenylethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-(2-phenylethyl)piperazine-1-carboxamide is O=C(NCCc1ccccc1)N1CCN(c2ncccc2-c2nnc(C3CC3)o2)CC1.
What is the InChIKey of 4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-(2-phenylethyl)piperazine-1-carboxamide?
The InChIKey is NJGWLOCMKMNBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c30-23(25-12-10-17-5-2-1-3-6-17)29-15-13-28(14-16-29)20-19(7-4-11-24-20)22-27-26-21(31-22)18-8-9-18/h1-7,11,18H,8-10,12-16H2,(H,25,30).
What are the key properties of 4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-(2-phenylethyl)piperazine-1-carboxamide?
4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-(2-phenylethyl)piperazine-1-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 3.08, 6 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-(2-phenylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 53134235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).