2-[2-[1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]imidazol-1-yl]acetamide

C18H22N6O — CID 72868172

IUPAC2-[2-[1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]imidazol-1-yl]acetamide
SMILESCc1cc(C)c(C#N)c(N2CCC(c3nccn3CC(N)=O)CC2)n1
InChIInChI=1S/C18H22N6O/c1-12-9-13(2)22-18(15(12)10-19)23-6-3-14(4-7-23)17-21-5-8-24(17)11-16(20)25/h5,8-9,14H,3-4,6-7,11H2,1-2H3,(H2,20,25)
InChIKeyOPPCYTFFOGKFII-UHFFFAOYSA-N
MW338.42 g/mol
LogP1.64
Rot. Bonds4

About 2-[2-[1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]imidazol-1-yl]acetamide

2-[2-[1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]imidazol-1-yl]acetamide (PubChem CID 72868172) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 2-[2-[1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]imidazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-[1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]imidazol-1-yl]acetamide
PubChem CID72868172
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name2-[2-[1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]imidazol-1-yl]acetamide
SMILESCc1cc(C)c(C#N)c(N2CCC(c3nccn3CC(N)=O)CC2)n1
InChIInChI=1S/C18H22N6O/c1-12-9-13(2)22-18(15(12)10-19)23-6-3-14(4-7-23)17-21-5-8-24(17)11-16(20)25/h5,8-9,14H,3-4,6-7,11H2,1-2H3,(H2,20,25)
InChIKeyOPPCYTFFOGKFII-UHFFFAOYSA-N
XLogP1.64
TPSA100.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]imidazol-1-yl]acetamide?
The IUPAC name of 2-[2-[1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]imidazol-1-yl]acetamide (CID 72868172) is 2-[2-[1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]imidazol-1-yl]acetamide.
What is the SMILES notation for 2-[2-[1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]imidazol-1-yl]acetamide?
The canonical SMILES for 2-[2-[1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]imidazol-1-yl]acetamide is Cc1cc(C)c(C#N)c(N2CCC(c3nccn3CC(N)=O)CC2)n1.
What is the InChIKey of 2-[2-[1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]imidazol-1-yl]acetamide?
The InChIKey is OPPCYTFFOGKFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-12-9-13(2)22-18(15(12)10-19)23-6-3-14(4-7-23)17-21-5-8-24(17)11-16(20)25/h5,8-9,14H,3-4,6-7,11H2,1-2H3,(H2,20,25).
What are the key properties of 2-[2-[1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]imidazol-1-yl]acetamide?
2-[2-[1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]imidazol-1-yl]acetamide has a molecular weight of 338.42 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]imidazol-1-yl]acetamide is sourced from PubChem (CID 72868172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).