N-butyl-4-cyano-N-ethyl-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide

C17H21N3O2 — CID 46517359

IUPACN-butyl-4-cyano-N-ethyl-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
SMILESCCCCN(CC)C(=O)c1c(C)oc(-n2cccc2)c1C#N
InChIInChI=1S/C17H21N3O2/c1-4-6-9-19(5-2)16(21)15-13(3)22-17(14(15)12-18)20-10-7-8-11-20/h7-8,10-11H,4-6,9H2,1-3H3
InChIKeyOVDWNYCLFILBGE-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.51
Rot. Bonds6

About N-butyl-4-cyano-N-ethyl-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide

N-butyl-4-cyano-N-ethyl-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide (PubChem CID 46517359) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-butyl-4-cyano-N-ethyl-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide.

Molecular Properties

Compound NameN-butyl-4-cyano-N-ethyl-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
PubChem CID46517359
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-butyl-4-cyano-N-ethyl-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
SMILESCCCCN(CC)C(=O)c1c(C)oc(-n2cccc2)c1C#N
InChIInChI=1S/C17H21N3O2/c1-4-6-9-19(5-2)16(21)15-13(3)22-17(14(15)12-18)20-10-7-8-11-20/h7-8,10-11H,4-6,9H2,1-3H3
InChIKeyOVDWNYCLFILBGE-UHFFFAOYSA-N
XLogP3.51
TPSA62.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_F(5)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-4-cyano-N-ethyl-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide?
The IUPAC name of N-butyl-4-cyano-N-ethyl-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide (CID 46517359) is N-butyl-4-cyano-N-ethyl-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide.
What is the SMILES notation for N-butyl-4-cyano-N-ethyl-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide?
The canonical SMILES for N-butyl-4-cyano-N-ethyl-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide is CCCCN(CC)C(=O)c1c(C)oc(-n2cccc2)c1C#N.
What is the InChIKey of N-butyl-4-cyano-N-ethyl-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide?
The InChIKey is OVDWNYCLFILBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-4-6-9-19(5-2)16(21)15-13(3)22-17(14(15)12-18)20-10-7-8-11-20/h7-8,10-11H,4-6,9H2,1-3H3.
What are the key properties of N-butyl-4-cyano-N-ethyl-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide?
N-butyl-4-cyano-N-ethyl-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-cyano-N-ethyl-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide is sourced from PubChem (CID 46517359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).