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

C14H17N5O2 — CID 164639611

IUPAC(2R)-3,3-dimethyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridin-4-ylazetidine-1-carboxamide
SMILESCc1noc(NC(=O)N2CC(C)(C)[C@H]2c2ccncc2)n1
InChIInChI=1S/C14H17N5O2/c1-9-16-12(21-18-9)17-13(20)19-8-14(2,3)11(19)10-4-6-15-7-5-10/h4-7,11H,8H2,1-3H3,(H,16,17,18,20)/t11-/m1/s1
InChIKeyWLVCDVBJLCIGCA-LLVKDONJSA-N
MW287.32 g/mol
LogP2.39
Rot. Bonds2

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

(2R)-3,3-dimethyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridin-4-ylazetidine-1-carboxamide (PubChem CID 164639611) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is (2R)-3,3-dimethyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridin-4-ylazetidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-3,3-dimethyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridin-4-ylazetidine-1-carboxamide
PubChem CID164639611
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name(2R)-3,3-dimethyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridin-4-ylazetidine-1-carboxamide
SMILESCc1noc(NC(=O)N2CC(C)(C)[C@H]2c2ccncc2)n1
InChIInChI=1S/C14H17N5O2/c1-9-16-12(21-18-9)17-13(20)19-8-14(2,3)11(19)10-4-6-15-7-5-10/h4-7,11H,8H2,1-3H3,(H,16,17,18,20)/t11-/m1/s1
InChIKeyWLVCDVBJLCIGCA-LLVKDONJSA-N
XLogP2.39
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-3,3-dimethyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridin-4-ylazetidine-1-carboxamide?
The IUPAC name of (2R)-3,3-dimethyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridin-4-ylazetidine-1-carboxamide (CID 164639611) is (2R)-3,3-dimethyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridin-4-ylazetidine-1-carboxamide.
What is the SMILES notation for (2R)-3,3-dimethyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridin-4-ylazetidine-1-carboxamide?
The canonical SMILES for (2R)-3,3-dimethyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridin-4-ylazetidine-1-carboxamide is Cc1noc(NC(=O)N2CC(C)(C)[C@H]2c2ccncc2)n1.
What is the InChIKey of (2R)-3,3-dimethyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridin-4-ylazetidine-1-carboxamide?
The InChIKey is WLVCDVBJLCIGCA-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-9-16-12(21-18-9)17-13(20)19-8-14(2,3)11(19)10-4-6-15-7-5-10/h4-7,11H,8H2,1-3H3,(H,16,17,18,20)/t11-/m1/s1.
What are the key properties of (2R)-3,3-dimethyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridin-4-ylazetidine-1-carboxamide?
(2R)-3,3-dimethyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridin-4-ylazetidine-1-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3-dimethyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridin-4-ylazetidine-1-carboxamide is sourced from PubChem (CID 164639611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).