N-[3-[(5-cyano-6-methyl-2-pyridinyl)oxy]-2,2,4,4-tetramethylcyclobutyl]acetamide

C17H23N3O2 — CID 56648320

IUPACN-[3-[(5-cyano-6-methyl-2-pyridinyl)oxy]-2,2,4,4-tetramethylcyclobutyl]acetamide
SMILESCC(=O)NC1C(C)(C)C(Oc2ccc(C#N)c(C)n2)C1(C)C
InChIInChI=1S/C17H23N3O2/c1-10-12(9-18)7-8-13(19-10)22-15-16(3,4)14(17(15,5)6)20-11(2)21/h7-8,14-15H,1-6H3,(H,20,21)
InChIKeyQNZOJVVHJFVPAF-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.58
Rot. Bonds3

About N-[3-[(5-cyano-6-methyl-2-pyridinyl)oxy]-2,2,4,4-tetramethylcyclobutyl]acetamide

N-[3-[(5-cyano-6-methyl-2-pyridinyl)oxy]-2,2,4,4-tetramethylcyclobutyl]acetamide (PubChem CID 56648320) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[3-[(5-cyano-6-methyl-2-pyridinyl)oxy]-2,2,4,4-tetramethylcyclobutyl]acetamide.

Molecular Properties

Compound NameN-[3-[(5-cyano-6-methyl-2-pyridinyl)oxy]-2,2,4,4-tetramethylcyclobutyl]acetamide
PubChem CID56648320
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-[3-[(5-cyano-6-methyl-2-pyridinyl)oxy]-2,2,4,4-tetramethylcyclobutyl]acetamide
SMILESCC(=O)NC1C(C)(C)C(Oc2ccc(C#N)c(C)n2)C1(C)C
InChIInChI=1S/C17H23N3O2/c1-10-12(9-18)7-8-13(19-10)22-15-16(3,4)14(17(15,5)6)20-11(2)21/h7-8,14-15H,1-6H3,(H,20,21)
InChIKeyQNZOJVVHJFVPAF-UHFFFAOYSA-N
XLogP2.58
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-cyano-6-methyl-2-pyridinyl)oxy]-2,2,4,4-tetramethylcyclobutyl]acetamide?
The IUPAC name of N-[3-[(5-cyano-6-methyl-2-pyridinyl)oxy]-2,2,4,4-tetramethylcyclobutyl]acetamide (CID 56648320) is N-[3-[(5-cyano-6-methyl-2-pyridinyl)oxy]-2,2,4,4-tetramethylcyclobutyl]acetamide.
What is the SMILES notation for N-[3-[(5-cyano-6-methyl-2-pyridinyl)oxy]-2,2,4,4-tetramethylcyclobutyl]acetamide?
The canonical SMILES for N-[3-[(5-cyano-6-methyl-2-pyridinyl)oxy]-2,2,4,4-tetramethylcyclobutyl]acetamide is CC(=O)NC1C(C)(C)C(Oc2ccc(C#N)c(C)n2)C1(C)C.
What is the InChIKey of N-[3-[(5-cyano-6-methyl-2-pyridinyl)oxy]-2,2,4,4-tetramethylcyclobutyl]acetamide?
The InChIKey is QNZOJVVHJFVPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-10-12(9-18)7-8-13(19-10)22-15-16(3,4)14(17(15,5)6)20-11(2)21/h7-8,14-15H,1-6H3,(H,20,21).
What are the key properties of N-[3-[(5-cyano-6-methyl-2-pyridinyl)oxy]-2,2,4,4-tetramethylcyclobutyl]acetamide?
N-[3-[(5-cyano-6-methyl-2-pyridinyl)oxy]-2,2,4,4-tetramethylcyclobutyl]acetamide has a molecular weight of 301.39 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-cyano-6-methyl-2-pyridinyl)oxy]-2,2,4,4-tetramethylcyclobutyl]acetamide is sourced from PubChem (CID 56648320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).