N-[(3R)-1-(3-cyano-4,6-dimethyl-2-pyridinyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide

C17H20N6O2 — CID 129326461

IUPACN-[(3R)-1-(3-cyano-4,6-dimethyl-2-pyridinyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@]1(c2noc(C)n2)CCN(c2nc(C)cc(C)c2C#N)C1
InChIInChI=1S/C17H20N6O2/c1-10-7-11(2)19-15(14(10)8-18)23-6-5-17(9-23,21-12(3)24)16-20-13(4)25-22-16/h7H,5-6,9H2,1-4H3,(H,21,24)/t17-/m1/s1
InChIKeyKEAPWKYYMBCHAA-QGZVFWFLSA-N
MW340.39 g/mol
LogP1.50
Rot. Bonds3

About N-[(3R)-1-(3-cyano-4,6-dimethyl-2-pyridinyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide

N-[(3R)-1-(3-cyano-4,6-dimethyl-2-pyridinyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide (PubChem CID 129326461) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is N-[(3R)-1-(3-cyano-4,6-dimethyl-2-pyridinyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1-(3-cyano-4,6-dimethyl-2-pyridinyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide
PubChem CID129326461
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC NameN-[(3R)-1-(3-cyano-4,6-dimethyl-2-pyridinyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@]1(c2noc(C)n2)CCN(c2nc(C)cc(C)c2C#N)C1
InChIInChI=1S/C17H20N6O2/c1-10-7-11(2)19-15(14(10)8-18)23-6-5-17(9-23,21-12(3)24)16-20-13(4)25-22-16/h7H,5-6,9H2,1-4H3,(H,21,24)/t17-/m1/s1
InChIKeyKEAPWKYYMBCHAA-QGZVFWFLSA-N
XLogP1.50
TPSA107.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(3-cyano-4,6-dimethyl-2-pyridinyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3R)-1-(3-cyano-4,6-dimethyl-2-pyridinyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide (CID 129326461) is N-[(3R)-1-(3-cyano-4,6-dimethyl-2-pyridinyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R)-1-(3-cyano-4,6-dimethyl-2-pyridinyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3R)-1-(3-cyano-4,6-dimethyl-2-pyridinyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide is CC(=O)N[C@]1(c2noc(C)n2)CCN(c2nc(C)cc(C)c2C#N)C1.
What is the InChIKey of N-[(3R)-1-(3-cyano-4,6-dimethyl-2-pyridinyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide?
The InChIKey is KEAPWKYYMBCHAA-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-10-7-11(2)19-15(14(10)8-18)23-6-5-17(9-23,21-12(3)24)16-20-13(4)25-22-16/h7H,5-6,9H2,1-4H3,(H,21,24)/t17-/m1/s1.
What are the key properties of N-[(3R)-1-(3-cyano-4,6-dimethyl-2-pyridinyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide?
N-[(3R)-1-(3-cyano-4,6-dimethyl-2-pyridinyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide has a molecular weight of 340.39 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(3-cyano-4,6-dimethyl-2-pyridinyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 129326461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).