(2S,5R)-5-[4-[1-(2,6-dimethylphenyl)tetrazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide

C20H22N6O2 — CID 155537146

IUPAC(2S,5R)-5-[4-[1-(2,6-dimethylphenyl)tetrazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide
SMILESCc1cccc(C)c1-n1nnnc1Oc1ccc([C@H]2CC[C@@H](C(N)=O)N2)cc1
InChIInChI=1S/C20H22N6O2/c1-12-4-3-5-13(2)18(12)26-20(23-24-25-26)28-15-8-6-14(7-9-15)16-10-11-17(22-16)19(21)27/h3-9,16-17,22H,10-11H2,1-2H3,(H2,21,27)/t16-,17+/m1/s1
InChIKeyUFEFXDFYMBQXID-SJORKVTESA-N
MW378.44 g/mol
LogP2.35
Rot. Bonds5

About (2S,5R)-5-[4-[1-(2,6-dimethylphenyl)tetrazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide

(2S,5R)-5-[4-[1-(2,6-dimethylphenyl)tetrazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide (PubChem CID 155537146) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is (2S,5R)-5-[4-[1-(2,6-dimethylphenyl)tetrazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-[4-[1-(2,6-dimethylphenyl)tetrazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide
PubChem CID155537146
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name(2S,5R)-5-[4-[1-(2,6-dimethylphenyl)tetrazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide
SMILESCc1cccc(C)c1-n1nnnc1Oc1ccc([C@H]2CC[C@@H](C(N)=O)N2)cc1
InChIInChI=1S/C20H22N6O2/c1-12-4-3-5-13(2)18(12)26-20(23-24-25-26)28-15-8-6-14(7-9-15)16-10-11-17(22-16)19(21)27/h3-9,16-17,22H,10-11H2,1-2H3,(H2,21,27)/t16-,17+/m1/s1
InChIKeyUFEFXDFYMBQXID-SJORKVTESA-N
XLogP2.35
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 155559515
CID 155559515
CID 53300745
CID 53300745
CID 147449714
CID 147449714
CID 149464333
CID 149464333
CID 155510624
CID 155510624
CID 155543494
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CID 155554021
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CID 155557721

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-[4-[1-(2,6-dimethylphenyl)tetrazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,5R)-5-[4-[1-(2,6-dimethylphenyl)tetrazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide (CID 155537146) is (2S,5R)-5-[4-[1-(2,6-dimethylphenyl)tetrazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-[4-[1-(2,6-dimethylphenyl)tetrazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,5R)-5-[4-[1-(2,6-dimethylphenyl)tetrazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide is Cc1cccc(C)c1-n1nnnc1Oc1ccc([C@H]2CC[C@@H](C(N)=O)N2)cc1.
What is the InChIKey of (2S,5R)-5-[4-[1-(2,6-dimethylphenyl)tetrazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide?
The InChIKey is UFEFXDFYMBQXID-SJORKVTESA-N. The full InChI is InChI=1S/C20H22N6O2/c1-12-4-3-5-13(2)18(12)26-20(23-24-25-26)28-15-8-6-14(7-9-15)16-10-11-17(22-16)19(21)27/h3-9,16-17,22H,10-11H2,1-2H3,(H2,21,27)/t16-,17+/m1/s1.
What are the key properties of (2S,5R)-5-[4-[1-(2,6-dimethylphenyl)tetrazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide?
(2S,5R)-5-[4-[1-(2,6-dimethylphenyl)tetrazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide has a molecular weight of 378.44 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-[4-[1-(2,6-dimethylphenyl)tetrazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 155537146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).