(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(4-methyl-3-pyridin-2-ylphenyl)pyrrolidine-1-carboxamide

C20H21N5O2 — CID 169175961

IUPAC(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(4-methyl-3-pyridin-2-ylphenyl)pyrrolidine-1-carboxamide
SMILESCc1nnc([C@H]2CCCN2C(=O)Nc2ccc(C)c(-c3ccccn3)c2)o1
InChIInChI=1S/C20H21N5O2/c1-13-8-9-15(12-16(13)17-6-3-4-10-21-17)22-20(26)25-11-5-7-18(25)19-24-23-14(2)27-19/h3-4,6,8-10,12,18H,5,7,11H2,1-2H3,(H,22,26)/t18-/m1/s1
InChIKeyPPYOZWVMLZFSBW-GOSISDBHSA-N
MW363.42 g/mol
LogP4.12
Rot. Bonds3

About (2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(4-methyl-3-pyridin-2-ylphenyl)pyrrolidine-1-carboxamide

(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(4-methyl-3-pyridin-2-ylphenyl)pyrrolidine-1-carboxamide (PubChem CID 169175961) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is (2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(4-methyl-3-pyridin-2-ylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(4-methyl-3-pyridin-2-ylphenyl)pyrrolidine-1-carboxamide
PubChem CID169175961
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(4-methyl-3-pyridin-2-ylphenyl)pyrrolidine-1-carboxamide
SMILESCc1nnc([C@H]2CCCN2C(=O)Nc2ccc(C)c(-c3ccccn3)c2)o1
InChIInChI=1S/C20H21N5O2/c1-13-8-9-15(12-16(13)17-6-3-4-10-21-17)22-20(26)25-11-5-7-18(25)19-24-23-14(2)27-19/h3-4,6,8-10,12,18H,5,7,11H2,1-2H3,(H,22,26)/t18-/m1/s1
InChIKeyPPYOZWVMLZFSBW-GOSISDBHSA-N
XLogP4.12
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(4-methyl-3-pyridin-2-ylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(4-methyl-3-pyridin-2-ylphenyl)pyrrolidine-1-carboxamide (CID 169175961) is (2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(4-methyl-3-pyridin-2-ylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(4-methyl-3-pyridin-2-ylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(4-methyl-3-pyridin-2-ylphenyl)pyrrolidine-1-carboxamide is Cc1nnc([C@H]2CCCN2C(=O)Nc2ccc(C)c(-c3ccccn3)c2)o1.
What is the InChIKey of (2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(4-methyl-3-pyridin-2-ylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is PPYOZWVMLZFSBW-GOSISDBHSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-13-8-9-15(12-16(13)17-6-3-4-10-21-17)22-20(26)25-11-5-7-18(25)19-24-23-14(2)27-19/h3-4,6,8-10,12,18H,5,7,11H2,1-2H3,(H,22,26)/t18-/m1/s1.
What are the key properties of (2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(4-methyl-3-pyridin-2-ylphenyl)pyrrolidine-1-carboxamide?
(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(4-methyl-3-pyridin-2-ylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(4-methyl-3-pyridin-2-ylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 169175961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).