N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide

C18H18N6O2 — CID 73305956

IUPACN-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide
SMILESO=C(NCc1noc(-c2ccccc2)n1)C1CC(c2ccccn2)NN1
InChIInChI=1S/C18H18N6O2/c25-17(15-10-14(22-23-15)13-8-4-5-9-19-13)20-11-16-21-18(26-24-16)12-6-2-1-3-7-12/h1-9,14-15,22-23H,10-11H2,(H,20,25)
InChIKeyRGDJRKFCVXCDDF-UHFFFAOYSA-N
MW350.38 g/mol
LogP1.36
Rot. Bonds5

About N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide

N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide (PubChem CID 73305956) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide
PubChem CID73305956
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC NameN-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide
SMILESO=C(NCc1noc(-c2ccccc2)n1)C1CC(c2ccccn2)NN1
InChIInChI=1S/C18H18N6O2/c25-17(15-10-14(22-23-15)13-8-4-5-9-19-13)20-11-16-21-18(26-24-16)12-6-2-1-3-7-12/h1-9,14-15,22-23H,10-11H2,(H,20,25)
InChIKeyRGDJRKFCVXCDDF-UHFFFAOYSA-N
XLogP1.36
TPSA104.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(4-fluorophenyl)propyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide
CID 75261448
N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 51098221
(4S)-2-oxo-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide
CID 125171625
N-(4-acetamidophenyl)-5-pyridin-2-ylpyrazolidine-3-carboxamide
CID 75188084
5-(furan-2-yl)-N-(pyridin-2-ylmethyl)pyrazolidine-3-carboxamide
CID 85499054
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide
CID 75261568
(2R)-1-methylsulfonyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2,5-dihydropyrrole-2-carboxamide
CID 51498731
3,3-dimethyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]butanamide
CID 53098234
N-[3-(1-methylbenzimidazol-2-yl)propyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide
CID 134126384
(5S)-3-(4-chlorophenyl)-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 51498728
N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]quinoxaline-2-carboxamide
CID 51098204
N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2-pyrrolidin-1-ylbenzamide
CID 90653338

Frequently Asked Questions

What is the IUPAC name of N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide?
The IUPAC name of N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide (CID 73305956) is N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide?
The canonical SMILES for N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide is O=C(NCc1noc(-c2ccccc2)n1)C1CC(c2ccccn2)NN1.
What is the InChIKey of N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide?
The InChIKey is RGDJRKFCVXCDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c25-17(15-10-14(22-23-15)13-8-4-5-9-19-13)20-11-16-21-18(26-24-16)12-6-2-1-3-7-12/h1-9,14-15,22-23H,10-11H2,(H,20,25).
What are the key properties of N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide?
N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 1.36, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide is sourced from PubChem (CID 73305956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).