6-cyano-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide

C13H11N3O2 — CID 115116521

IUPAC6-cyano-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
SMILESCc1ccc(CNC(=O)c2cccc(C#N)n2)o1
InChIInChI=1S/C13H11N3O2/c1-9-5-6-11(18-9)8-15-13(17)12-4-2-3-10(7-14)16-12/h2-6H,8H2,1H3,(H,15,17)
InChIKeyGHLDIRKBNJWCNA-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.78
Rot. Bonds3

About 6-cyano-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide

6-cyano-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide (PubChem CID 115116521) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 6-cyano-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyano-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
PubChem CID115116521
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name6-cyano-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
SMILESCc1ccc(CNC(=O)c2cccc(C#N)n2)o1
InChIInChI=1S/C13H11N3O2/c1-9-5-6-11(18-9)8-15-13(17)12-4-2-3-10(7-14)16-12/h2-6H,8H2,1H3,(H,15,17)
InChIKeyGHLDIRKBNJWCNA-UHFFFAOYSA-N
XLogP1.78
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-cyano-N-[(2,4-dimethylphenyl)methyl]pyridine-2-carboxamide
CID 115116507
6-cyano-N-[(4-fluoro-3-methylphenyl)methyl]pyridine-2-carboxamide
CID 115116506
2-cyano-N-[(5-methylfuran-2-yl)methyl]pyridine-4-carboxamide
CID 115115877
6-cyano-N-[2-(4-methylphenyl)ethyl]pyridine-2-carboxamide
CID 115116559
2-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 66376144
1,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide
CID 39854570
6-(methylamino)-N-[(5-methylfuran-2-yl)methyl]pyridazine-3-carboxamide
CID 62524620
4-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-2,4-dicarboxamide
CID 53158295
N-[(5-bromo-2-fluorophenyl)methyl]-6-cyanopyridine-2-carboxamide
CID 115116512
4-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 55081452
2-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731650
6-[[(5-methylfuran-2-yl)methylamino]methyl]pyridine-2-carboxylic acid
CID 106904658

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 6-cyano-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide (CID 115116521) is 6-cyano-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-cyano-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 6-cyano-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide is Cc1ccc(CNC(=O)c2cccc(C#N)n2)o1.
What is the InChIKey of 6-cyano-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide?
The InChIKey is GHLDIRKBNJWCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-9-5-6-11(18-9)8-15-13(17)12-4-2-3-10(7-14)16-12/h2-6H,8H2,1H3,(H,15,17).
What are the key properties of 6-cyano-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide?
6-cyano-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide has a molecular weight of 241.25 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 115116521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).