2-cyano-N-[(5-methylfuran-2-yl)methyl]pyridine-4-carboxamide

C13H11N3O2 — CID 115115877

IUPAC2-cyano-N-[(5-methylfuran-2-yl)methyl]pyridine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2ccnc(C#N)c2)o1
InChIInChI=1S/C13H11N3O2/c1-9-2-3-12(18-9)8-16-13(17)10-4-5-15-11(6-10)7-14/h2-6H,8H2,1H3,(H,16,17)
InChIKeyQGKKFEDLHHNUJA-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.78
Rot. Bonds3

About 2-cyano-N-[(5-methylfuran-2-yl)methyl]pyridine-4-carboxamide

2-cyano-N-[(5-methylfuran-2-yl)methyl]pyridine-4-carboxamide (PubChem CID 115115877) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-cyano-N-[(5-methylfuran-2-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-cyano-N-[(5-methylfuran-2-yl)methyl]pyridine-4-carboxamide
PubChem CID115115877
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name2-cyano-N-[(5-methylfuran-2-yl)methyl]pyridine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2ccnc(C#N)c2)o1
InChIInChI=1S/C13H11N3O2/c1-9-2-3-12(18-9)8-16-13(17)10-4-5-15-11(6-10)7-14/h2-6H,8H2,1H3,(H,16,17)
InChIKeyQGKKFEDLHHNUJA-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

2-cyano-N-[(2,4-dimethylphenyl)methyl]pyridine-4-carboxamide
CID 115115865
3,4-dichloro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731633
6-cyano-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 115116521
4-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 55081452
6-(methylamino)-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide
CID 62523594
4-fluoro-3-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 63213507
N-[(2-cyano-4-pyridinyl)methyl]pyridine-4-carboxamide
CID 140582866
3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731628
2-cyano-N-(3,3,3-trifluoropropyl)pyridine-4-carboxamide
CID 112527763
5-hydroxy-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide
CID 55256173
4-hydrazinyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 62524791
2-cyano-N-propan-2-ylpyridine-4-carboxamide
CID 112520008

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(5-methylfuran-2-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-cyano-N-[(5-methylfuran-2-yl)methyl]pyridine-4-carboxamide (CID 115115877) is 2-cyano-N-[(5-methylfuran-2-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-cyano-N-[(5-methylfuran-2-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-cyano-N-[(5-methylfuran-2-yl)methyl]pyridine-4-carboxamide is Cc1ccc(CNC(=O)c2ccnc(C#N)c2)o1.
What is the InChIKey of 2-cyano-N-[(5-methylfuran-2-yl)methyl]pyridine-4-carboxamide?
The InChIKey is QGKKFEDLHHNUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-9-2-3-12(18-9)8-16-13(17)10-4-5-15-11(6-10)7-14/h2-6H,8H2,1H3,(H,16,17).
What are the key properties of 2-cyano-N-[(5-methylfuran-2-yl)methyl]pyridine-4-carboxamide?
2-cyano-N-[(5-methylfuran-2-yl)methyl]pyridine-4-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 2-cyano-N-[(5-methylfuran-2-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 115115877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).