N-[5-cyano-2-(hydroxymethyl)-3-pyridinyl]-2,2-dimethylpropanamide

C12H15N3O2 — CID 126720489

IUPACN-[5-cyano-2-(hydroxymethyl)-3-pyridinyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cc(C#N)cnc1CO
InChIInChI=1S/C12H15N3O2/c1-12(2,3)11(17)15-9-4-8(5-13)6-14-10(9)7-16/h4,6,16H,7H2,1-3H3,(H,15,17)
InChIKeyAERBKKBOKOEBSJ-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.43
Rot. Bonds2

About N-[5-cyano-2-(hydroxymethyl)-3-pyridinyl]-2,2-dimethylpropanamide

N-[5-cyano-2-(hydroxymethyl)-3-pyridinyl]-2,2-dimethylpropanamide (PubChem CID 126720489) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-[5-cyano-2-(hydroxymethyl)-3-pyridinyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-cyano-2-(hydroxymethyl)-3-pyridinyl]-2,2-dimethylpropanamide
PubChem CID126720489
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN-[5-cyano-2-(hydroxymethyl)-3-pyridinyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cc(C#N)cnc1CO
InChIInChI=1S/C12H15N3O2/c1-12(2,3)11(17)15-9-4-8(5-13)6-14-10(9)7-16/h4,6,16H,7H2,1-3H3,(H,15,17)
InChIKeyAERBKKBOKOEBSJ-UHFFFAOYSA-N
XLogP1.43
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-2-(hydroxymethyl)-3-pyridinyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-cyano-2-(hydroxymethyl)-3-pyridinyl]-2,2-dimethylpropanamide (CID 126720489) is N-[5-cyano-2-(hydroxymethyl)-3-pyridinyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-cyano-2-(hydroxymethyl)-3-pyridinyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-cyano-2-(hydroxymethyl)-3-pyridinyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cc(C#N)cnc1CO.
What is the InChIKey of N-[5-cyano-2-(hydroxymethyl)-3-pyridinyl]-2,2-dimethylpropanamide?
The InChIKey is AERBKKBOKOEBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-12(2,3)11(17)15-9-4-8(5-13)6-14-10(9)7-16/h4,6,16H,7H2,1-3H3,(H,15,17).
What are the key properties of N-[5-cyano-2-(hydroxymethyl)-3-pyridinyl]-2,2-dimethylpropanamide?
N-[5-cyano-2-(hydroxymethyl)-3-pyridinyl]-2,2-dimethylpropanamide has a molecular weight of 233.27 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-2-(hydroxymethyl)-3-pyridinyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 126720489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).