5-cyano-N-[2-(dimethylamino)-2-oxoethyl]pyridine-2-carboxamide

C11H12N4O2 — CID 63719308

IUPAC5-cyano-N-[2-(dimethylamino)-2-oxoethyl]pyridine-2-carboxamide
SMILESCN(C)C(=O)CNC(=O)c1ccc(C#N)cn1
InChIInChI=1S/C11H12N4O2/c1-15(2)10(16)7-14-11(17)9-4-3-8(5-12)6-13-9/h3-4,6H,7H2,1-2H3,(H,14,17)
InChIKeyHHGSRLPKUUBQBY-UHFFFAOYSA-N
MW232.24 g/mol
LogP-0.23
Rot. Bonds3

About 5-cyano-N-[2-(dimethylamino)-2-oxoethyl]pyridine-2-carboxamide

5-cyano-N-[2-(dimethylamino)-2-oxoethyl]pyridine-2-carboxamide (PubChem CID 63719308) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 5-cyano-N-[2-(dimethylamino)-2-oxoethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[2-(dimethylamino)-2-oxoethyl]pyridine-2-carboxamide
PubChem CID63719308
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name5-cyano-N-[2-(dimethylamino)-2-oxoethyl]pyridine-2-carboxamide
SMILESCN(C)C(=O)CNC(=O)c1ccc(C#N)cn1
InChIInChI=1S/C11H12N4O2/c1-15(2)10(16)7-14-11(17)9-4-3-8(5-12)6-13-9/h3-4,6H,7H2,1-2H3,(H,14,17)
InChIKeyHHGSRLPKUUBQBY-UHFFFAOYSA-N
XLogP-0.23
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2-(dimethylamino)-2-oxoethyl]pyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-[2-(dimethylamino)-2-oxoethyl]pyridine-2-carboxamide (CID 63719308) is 5-cyano-N-[2-(dimethylamino)-2-oxoethyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[2-(dimethylamino)-2-oxoethyl]pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-[2-(dimethylamino)-2-oxoethyl]pyridine-2-carboxamide is CN(C)C(=O)CNC(=O)c1ccc(C#N)cn1.
What is the InChIKey of 5-cyano-N-[2-(dimethylamino)-2-oxoethyl]pyridine-2-carboxamide?
The InChIKey is HHGSRLPKUUBQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-15(2)10(16)7-14-11(17)9-4-3-8(5-12)6-13-9/h3-4,6H,7H2,1-2H3,(H,14,17).
What are the key properties of 5-cyano-N-[2-(dimethylamino)-2-oxoethyl]pyridine-2-carboxamide?
5-cyano-N-[2-(dimethylamino)-2-oxoethyl]pyridine-2-carboxamide has a molecular weight of 232.24 g/mol, XLogP of -0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[2-(dimethylamino)-2-oxoethyl]pyridine-2-carboxamide is sourced from PubChem (CID 63719308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).