6-cyano-N,N-diethylpyridine-3-carboxamide

C11H13N3O — CID 13415154

IUPAC6-cyano-N,N-diethylpyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1ccc(C#N)nc1
InChIInChI=1S/C11H13N3O/c1-3-14(4-2)11(15)9-5-6-10(7-12)13-8-9/h5-6,8H,3-4H2,1-2H3
InChIKeyJZHCAWSDWIKEMI-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.44
Rot. Bonds3

About 6-cyano-N,N-diethylpyridine-3-carboxamide

6-cyano-N,N-diethylpyridine-3-carboxamide (PubChem CID 13415154) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 6-cyano-N,N-diethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-cyano-N,N-diethylpyridine-3-carboxamide
PubChem CID13415154
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name6-cyano-N,N-diethylpyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1ccc(C#N)nc1
InChIInChI=1S/C11H13N3O/c1-3-14(4-2)11(15)9-5-6-10(7-12)13-8-9/h5-6,8H,3-4H2,1-2H3
InChIKeyJZHCAWSDWIKEMI-UHFFFAOYSA-N
XLogP1.44
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-cyano-N,N-diethylpyridine-3-carboxamide?
The IUPAC name of 6-cyano-N,N-diethylpyridine-3-carboxamide (CID 13415154) is 6-cyano-N,N-diethylpyridine-3-carboxamide.
What is the SMILES notation for 6-cyano-N,N-diethylpyridine-3-carboxamide?
The canonical SMILES for 6-cyano-N,N-diethylpyridine-3-carboxamide is CCN(CC)C(=O)c1ccc(C#N)nc1.
What is the InChIKey of 6-cyano-N,N-diethylpyridine-3-carboxamide?
The InChIKey is JZHCAWSDWIKEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-3-14(4-2)11(15)9-5-6-10(7-12)13-8-9/h5-6,8H,3-4H2,1-2H3.
What are the key properties of 6-cyano-N,N-diethylpyridine-3-carboxamide?
6-cyano-N,N-diethylpyridine-3-carboxamide has a molecular weight of 203.24 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N,N-diethylpyridine-3-carboxamide is sourced from PubChem (CID 13415154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).