5-cyano-N-(4,6-dimethyl-2-pyridinyl)furan-2-carboxamide

C13H11N3O2 — CID 10586174

IUPAC5-cyano-N-(4,6-dimethyl-2-pyridinyl)furan-2-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2ccc(C#N)o2)c1
InChIInChI=1S/C13H11N3O2/c1-8-5-9(2)15-12(6-8)16-13(17)11-4-3-10(7-14)18-11/h3-6H,1-2H3,(H,15,16,17)
InChIKeyDIEFSMWBCFGOOV-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.42
Rot. Bonds2

About 5-cyano-N-(4,6-dimethyl-2-pyridinyl)furan-2-carboxamide

5-cyano-N-(4,6-dimethyl-2-pyridinyl)furan-2-carboxamide (PubChem CID 10586174) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 5-cyano-N-(4,6-dimethyl-2-pyridinyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-(4,6-dimethyl-2-pyridinyl)furan-2-carboxamide
PubChem CID10586174
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name5-cyano-N-(4,6-dimethyl-2-pyridinyl)furan-2-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2ccc(C#N)o2)c1
InChIInChI=1S/C13H11N3O2/c1-8-5-9(2)15-12(6-8)16-13(17)11-4-3-10(7-14)18-11/h3-6H,1-2H3,(H,15,16,17)
InChIKeyDIEFSMWBCFGOOV-UHFFFAOYSA-N
XLogP2.42
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(4,6-dimethyl-2-pyridinyl)furan-2-carboxamide?
The IUPAC name of 5-cyano-N-(4,6-dimethyl-2-pyridinyl)furan-2-carboxamide (CID 10586174) is 5-cyano-N-(4,6-dimethyl-2-pyridinyl)furan-2-carboxamide.
What is the SMILES notation for 5-cyano-N-(4,6-dimethyl-2-pyridinyl)furan-2-carboxamide?
The canonical SMILES for 5-cyano-N-(4,6-dimethyl-2-pyridinyl)furan-2-carboxamide is Cc1cc(C)nc(NC(=O)c2ccc(C#N)o2)c1.
What is the InChIKey of 5-cyano-N-(4,6-dimethyl-2-pyridinyl)furan-2-carboxamide?
The InChIKey is DIEFSMWBCFGOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-8-5-9(2)15-12(6-8)16-13(17)11-4-3-10(7-14)18-11/h3-6H,1-2H3,(H,15,16,17).
What are the key properties of 5-cyano-N-(4,6-dimethyl-2-pyridinyl)furan-2-carboxamide?
5-cyano-N-(4,6-dimethyl-2-pyridinyl)furan-2-carboxamide has a molecular weight of 241.25 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(4,6-dimethyl-2-pyridinyl)furan-2-carboxamide is sourced from PubChem (CID 10586174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).