4-cyano-2-methyl-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-5-pyrrol-1-ylfuran-3-carboxamide

C19H24N4O3 — CID 87028792

IUPAC4-cyano-2-methyl-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-5-pyrrol-1-ylfuran-3-carboxamide
SMILESCCCNC(=O)CN(CCC)C(=O)c1c(C)oc(-n2cccc2)c1C#N
InChIInChI=1S/C19H24N4O3/c1-4-8-21-16(24)13-23(9-5-2)18(25)17-14(3)26-19(15(17)12-20)22-10-6-7-11-22/h6-7,10-11H,4-5,8-9,13H2,1-3H3,(H,21,24)
InChIKeyWOGJNBGNKQSEQQ-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.63
Rot. Bonds8

About 4-cyano-2-methyl-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-5-pyrrol-1-ylfuran-3-carboxamide

4-cyano-2-methyl-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-5-pyrrol-1-ylfuran-3-carboxamide (PubChem CID 87028792) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-cyano-2-methyl-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-5-pyrrol-1-ylfuran-3-carboxamide.

Molecular Properties

Compound Name4-cyano-2-methyl-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-5-pyrrol-1-ylfuran-3-carboxamide
PubChem CID87028792
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name4-cyano-2-methyl-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-5-pyrrol-1-ylfuran-3-carboxamide
SMILESCCCNC(=O)CN(CCC)C(=O)c1c(C)oc(-n2cccc2)c1C#N
InChIInChI=1S/C19H24N4O3/c1-4-8-21-16(24)13-23(9-5-2)18(25)17-14(3)26-19(15(17)12-20)22-10-6-7-11-22/h6-7,10-11H,4-5,8-9,13H2,1-3H3,(H,21,24)
InChIKeyWOGJNBGNKQSEQQ-UHFFFAOYSA-N
XLogP2.63
TPSA91.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 4-cyano-2-methyl-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-5-pyrrol-1-ylfuran-3-carboxamide?
The IUPAC name of 4-cyano-2-methyl-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-5-pyrrol-1-ylfuran-3-carboxamide (CID 87028792) is 4-cyano-2-methyl-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-5-pyrrol-1-ylfuran-3-carboxamide.
What is the SMILES notation for 4-cyano-2-methyl-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-5-pyrrol-1-ylfuran-3-carboxamide?
The canonical SMILES for 4-cyano-2-methyl-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-5-pyrrol-1-ylfuran-3-carboxamide is CCCNC(=O)CN(CCC)C(=O)c1c(C)oc(-n2cccc2)c1C#N.
What is the InChIKey of 4-cyano-2-methyl-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-5-pyrrol-1-ylfuran-3-carboxamide?
The InChIKey is WOGJNBGNKQSEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-4-8-21-16(24)13-23(9-5-2)18(25)17-14(3)26-19(15(17)12-20)22-10-6-7-11-22/h6-7,10-11H,4-5,8-9,13H2,1-3H3,(H,21,24).
What are the key properties of 4-cyano-2-methyl-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-5-pyrrol-1-ylfuran-3-carboxamide?
4-cyano-2-methyl-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-5-pyrrol-1-ylfuran-3-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-2-methyl-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-5-pyrrol-1-ylfuran-3-carboxamide is sourced from PubChem (CID 87028792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).