N-benzylsulfonyl-1-[3-cyano-5-(5-ethyl-1,3-oxazol-2-yl)-6-methyl-2-pyridinyl]azetidine-3-carboxamide

C23H23N5O4S — CID 15983545

IUPACN-benzylsulfonyl-1-[3-cyano-5-(5-ethyl-1,3-oxazol-2-yl)-6-methyl-2-pyridinyl]azetidine-3-carboxamide
SMILESCCc1cnc(-c2cc(C#N)c(N3CC(C(=O)NS(=O)(=O)Cc4ccccc4)C3)nc2C)o1
InChIInChI=1S/C23H23N5O4S/c1-3-19-11-25-23(32-19)20-9-17(10-24)21(26-15(20)2)28-12-18(13-28)22(29)27-33(30,31)14-16-7-5-4-6-8-16/h4-9,11,18H,3,12-14H2,1-2H3,(H,27,29)
InChIKeyAEXXLDKPHLKGSZ-UHFFFAOYSA-N
MW465.54 g/mol
LogP2.56
Rot. Bonds7

About N-benzylsulfonyl-1-[3-cyano-5-(5-ethyl-1,3-oxazol-2-yl)-6-methyl-2-pyridinyl]azetidine-3-carboxamide

N-benzylsulfonyl-1-[3-cyano-5-(5-ethyl-1,3-oxazol-2-yl)-6-methyl-2-pyridinyl]azetidine-3-carboxamide (PubChem CID 15983545) has the molecular formula C23H23N5O4S and a molecular weight of 465.54 g/mol. Its IUPAC name is N-benzylsulfonyl-1-[3-cyano-5-(5-ethyl-1,3-oxazol-2-yl)-6-methyl-2-pyridinyl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-benzylsulfonyl-1-[3-cyano-5-(5-ethyl-1,3-oxazol-2-yl)-6-methyl-2-pyridinyl]azetidine-3-carboxamide
PubChem CID15983545
Molecular FormulaC23H23N5O4S
Molecular Weight465.54 g/mol
Exact Mass465.15
IUPAC NameN-benzylsulfonyl-1-[3-cyano-5-(5-ethyl-1,3-oxazol-2-yl)-6-methyl-2-pyridinyl]azetidine-3-carboxamide
SMILESCCc1cnc(-c2cc(C#N)c(N3CC(C(=O)NS(=O)(=O)Cc4ccccc4)C3)nc2C)o1
InChIInChI=1S/C23H23N5O4S/c1-3-19-11-25-23(32-19)20-9-17(10-24)21(26-15(20)2)28-12-18(13-28)22(29)27-33(30,31)14-16-7-5-4-6-8-16/h4-9,11,18H,3,12-14H2,1-2H3,(H,27,29)
InChIKeyAEXXLDKPHLKGSZ-UHFFFAOYSA-N
XLogP2.56
TPSA129.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.54
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-benzylsulfonyl-1-[3-cyano-5-(5-ethyl-1,3-oxazol-2-yl)-6-methyl-2-pyridinyl]azetidine-3-carboxamide?
The IUPAC name of N-benzylsulfonyl-1-[3-cyano-5-(5-ethyl-1,3-oxazol-2-yl)-6-methyl-2-pyridinyl]azetidine-3-carboxamide (CID 15983545) is N-benzylsulfonyl-1-[3-cyano-5-(5-ethyl-1,3-oxazol-2-yl)-6-methyl-2-pyridinyl]azetidine-3-carboxamide.
What is the SMILES notation for N-benzylsulfonyl-1-[3-cyano-5-(5-ethyl-1,3-oxazol-2-yl)-6-methyl-2-pyridinyl]azetidine-3-carboxamide?
The canonical SMILES for N-benzylsulfonyl-1-[3-cyano-5-(5-ethyl-1,3-oxazol-2-yl)-6-methyl-2-pyridinyl]azetidine-3-carboxamide is CCc1cnc(-c2cc(C#N)c(N3CC(C(=O)NS(=O)(=O)Cc4ccccc4)C3)nc2C)o1.
What is the InChIKey of N-benzylsulfonyl-1-[3-cyano-5-(5-ethyl-1,3-oxazol-2-yl)-6-methyl-2-pyridinyl]azetidine-3-carboxamide?
The InChIKey is AEXXLDKPHLKGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O4S/c1-3-19-11-25-23(32-19)20-9-17(10-24)21(26-15(20)2)28-12-18(13-28)22(29)27-33(30,31)14-16-7-5-4-6-8-16/h4-9,11,18H,3,12-14H2,1-2H3,(H,27,29).
What are the key properties of N-benzylsulfonyl-1-[3-cyano-5-(5-ethyl-1,3-oxazol-2-yl)-6-methyl-2-pyridinyl]azetidine-3-carboxamide?
N-benzylsulfonyl-1-[3-cyano-5-(5-ethyl-1,3-oxazol-2-yl)-6-methyl-2-pyridinyl]azetidine-3-carboxamide has a molecular weight of 465.54 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylsulfonyl-1-[3-cyano-5-(5-ethyl-1,3-oxazol-2-yl)-6-methyl-2-pyridinyl]azetidine-3-carboxamide is sourced from PubChem (CID 15983545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).