4-cyano-2-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)-5-pyrrol-1-ylfuran-3-carboxamide

C18H22N4O2 — CID 75526314

IUPAC4-cyano-2-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)-5-pyrrol-1-ylfuran-3-carboxamide
SMILESCc1oc(-n2cccc2)c(C#N)c1C(=O)NC1CCN(C(C)C)C1
InChIInChI=1S/C18H22N4O2/c1-12(2)22-9-6-14(11-22)20-17(23)16-13(3)24-18(15(16)10-19)21-7-4-5-8-21/h4-5,7-8,12,14H,6,9,11H2,1-3H3,(H,20,23)
InChIKeyGRVJGAKXAJFZIO-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.46
Rot. Bonds4

About 4-cyano-2-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)-5-pyrrol-1-ylfuran-3-carboxamide

4-cyano-2-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)-5-pyrrol-1-ylfuran-3-carboxamide (PubChem CID 75526314) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-cyano-2-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)-5-pyrrol-1-ylfuran-3-carboxamide.

Molecular Properties

Compound Name4-cyano-2-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)-5-pyrrol-1-ylfuran-3-carboxamide
PubChem CID75526314
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name4-cyano-2-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)-5-pyrrol-1-ylfuran-3-carboxamide
SMILESCc1oc(-n2cccc2)c(C#N)c1C(=O)NC1CCN(C(C)C)C1
InChIInChI=1S/C18H22N4O2/c1-12(2)22-9-6-14(11-22)20-17(23)16-13(3)24-18(15(16)10-19)21-7-4-5-8-21/h4-5,7-8,12,14H,6,9,11H2,1-3H3,(H,20,23)
InChIKeyGRVJGAKXAJFZIO-UHFFFAOYSA-N
XLogP2.46
TPSA74.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.46
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-(1-propan-2-ylpyrrolidin-3-yl)-5-pyrrol-1-ylfuran-3-carboxamide?
The IUPAC name of 4-cyano-2-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)-5-pyrrol-1-ylfuran-3-carboxamide (CID 75526314) is 4-cyano-2-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)-5-pyrrol-1-ylfuran-3-carboxamide.
What is the SMILES notation for 4-cyano-2-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)-5-pyrrol-1-ylfuran-3-carboxamide?
The canonical SMILES for 4-cyano-2-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)-5-pyrrol-1-ylfuran-3-carboxamide is Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC1CCN(C(C)C)C1.
What is the InChIKey of 4-cyano-2-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)-5-pyrrol-1-ylfuran-3-carboxamide?
The InChIKey is GRVJGAKXAJFZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12(2)22-9-6-14(11-22)20-17(23)16-13(3)24-18(15(16)10-19)21-7-4-5-8-21/h4-5,7-8,12,14H,6,9,11H2,1-3H3,(H,20,23).
What are the key properties of 4-cyano-2-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)-5-pyrrol-1-ylfuran-3-carboxamide?
4-cyano-2-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)-5-pyrrol-1-ylfuran-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.46, 4 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-(1-propan-2-ylpyrrolidin-3-yl)-5-pyrrol-1-ylfuran-3-carboxamide is sourced from PubChem (CID 75526314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).