5-amino-4-phenyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazolidine-3-carboxamide

C19H21N7O2 — CID 134128002

IUPAC5-amino-4-phenyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazolidine-3-carboxamide
SMILESNC1NNC(C(=O)NCCc2nc(-c3ccccn3)no2)C1c1ccccc1
InChIInChI=1S/C19H21N7O2/c20-17-15(12-6-2-1-3-7-12)16(24-25-17)19(27)22-11-9-14-23-18(26-28-14)13-8-4-5-10-21-13/h1-8,10,15-17,24-25H,9,11,20H2,(H,22,27)
InChIKeyARZMDKMVJDDIJN-UHFFFAOYSA-N
MW379.42 g/mol
LogP0.34
Rot. Bonds6

About 5-amino-4-phenyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazolidine-3-carboxamide

5-amino-4-phenyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazolidine-3-carboxamide (PubChem CID 134128002) has the molecular formula C19H21N7O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is 5-amino-4-phenyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-amino-4-phenyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazolidine-3-carboxamide
PubChem CID134128002
Molecular FormulaC19H21N7O2
Molecular Weight379.42 g/mol
Exact Mass379.18
IUPAC Name5-amino-4-phenyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazolidine-3-carboxamide
SMILESNC1NNC(C(=O)NCCc2nc(-c3ccccn3)no2)C1c1ccccc1
InChIInChI=1S/C19H21N7O2/c20-17-15(12-6-2-1-3-7-12)16(24-25-17)19(27)22-11-9-14-23-18(26-28-14)13-8-4-5-10-21-13/h1-8,10,15-17,24-25H,9,11,20H2,(H,22,27)
InChIKeyARZMDKMVJDDIJN-UHFFFAOYSA-N
XLogP0.34
TPSA130.99 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 50.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

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2-[(3R)-3-hydroxypiperidin-1-yl]-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
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(1R,6S,8R)-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-pyrimidin-2-yl-3-azabicyclo[4.2.0]octane-8-carboxamide
CID 170508501
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one;dihydrochloride
CID 120746666
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N-pyridin-2-yl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
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N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
CID 77096076

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-phenyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazolidine-3-carboxamide?
The IUPAC name of 5-amino-4-phenyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazolidine-3-carboxamide (CID 134128002) is 5-amino-4-phenyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-amino-4-phenyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazolidine-3-carboxamide?
The canonical SMILES for 5-amino-4-phenyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazolidine-3-carboxamide is NC1NNC(C(=O)NCCc2nc(-c3ccccn3)no2)C1c1ccccc1.
What is the InChIKey of 5-amino-4-phenyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazolidine-3-carboxamide?
The InChIKey is ARZMDKMVJDDIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O2/c20-17-15(12-6-2-1-3-7-12)16(24-25-17)19(27)22-11-9-14-23-18(26-28-14)13-8-4-5-10-21-13/h1-8,10,15-17,24-25H,9,11,20H2,(H,22,27).
What are the key properties of 5-amino-4-phenyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazolidine-3-carboxamide?
5-amino-4-phenyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazolidine-3-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 0.34, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-phenyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazolidine-3-carboxamide is sourced from PubChem (CID 134128002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).