N-(1-cyanoethyl)-2,6-dimethylpyridine-3-carboxamide

C11H13N3O — CID 55209186

IUPACN-(1-cyanoethyl)-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC(C)C#N)c(C)n1
InChIInChI=1S/C11H13N3O/c1-7-4-5-10(9(3)13-7)11(15)14-8(2)6-12/h4-5,8H,1-3H3,(H,14,15)
InChIKeyFABUCIRPRBXWED-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.34
Rot. Bonds2

About N-(1-cyanoethyl)-2,6-dimethylpyridine-3-carboxamide

N-(1-cyanoethyl)-2,6-dimethylpyridine-3-carboxamide (PubChem CID 55209186) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is N-(1-cyanoethyl)-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyanoethyl)-2,6-dimethylpyridine-3-carboxamide
PubChem CID55209186
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC NameN-(1-cyanoethyl)-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC(C)C#N)c(C)n1
InChIInChI=1S/C11H13N3O/c1-7-4-5-10(9(3)13-7)11(15)14-8(2)6-12/h4-5,8H,1-3H3,(H,14,15)
InChIKeyFABUCIRPRBXWED-UHFFFAOYSA-N
XLogP1.34
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanoethyl)-2,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-(1-cyanoethyl)-2,6-dimethylpyridine-3-carboxamide (CID 55209186) is N-(1-cyanoethyl)-2,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-(1-cyanoethyl)-2,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-(1-cyanoethyl)-2,6-dimethylpyridine-3-carboxamide is Cc1ccc(C(=O)NC(C)C#N)c(C)n1.
What is the InChIKey of N-(1-cyanoethyl)-2,6-dimethylpyridine-3-carboxamide?
The InChIKey is FABUCIRPRBXWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-7-4-5-10(9(3)13-7)11(15)14-8(2)6-12/h4-5,8H,1-3H3,(H,14,15).
What are the key properties of N-(1-cyanoethyl)-2,6-dimethylpyridine-3-carboxamide?
N-(1-cyanoethyl)-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 203.24 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanoethyl)-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 55209186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).