N-(furan-3-ylmethyl)-N-methyl-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide

C17H19N3O3 — CID 72932772

IUPACN-(furan-3-ylmethyl)-N-methyl-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
SMILESCN(Cc1ccoc1)C(=O)C1CC(=O)N(Cc2ccncc2)C1
InChIInChI=1S/C17H19N3O3/c1-19(9-14-4-7-23-12-14)17(22)15-8-16(21)20(11-15)10-13-2-5-18-6-3-13/h2-7,12,15H,8-11H2,1H3
InChIKeySKXPIFALAPQSKF-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.68
Rot. Bonds5

About N-(furan-3-ylmethyl)-N-methyl-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide

N-(furan-3-ylmethyl)-N-methyl-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 72932772) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-N-methyl-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-N-methyl-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID72932772
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-(furan-3-ylmethyl)-N-methyl-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
SMILESCN(Cc1ccoc1)C(=O)C1CC(=O)N(Cc2ccncc2)C1
InChIInChI=1S/C17H19N3O3/c1-19(9-14-4-7-23-12-14)17(22)15-8-16(21)20(11-15)10-13-2-5-18-6-3-13/h2-7,12,15H,8-11H2,1H3
InChIKeySKXPIFALAPQSKF-UHFFFAOYSA-N
XLogP1.68
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-N-methyl-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(furan-3-ylmethyl)-N-methyl-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide (CID 72932772) is N-(furan-3-ylmethyl)-N-methyl-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(furan-3-ylmethyl)-N-methyl-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(furan-3-ylmethyl)-N-methyl-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide is CN(Cc1ccoc1)C(=O)C1CC(=O)N(Cc2ccncc2)C1.
What is the InChIKey of N-(furan-3-ylmethyl)-N-methyl-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is SKXPIFALAPQSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-19(9-14-4-7-23-12-14)17(22)15-8-16(21)20(11-15)10-13-2-5-18-6-3-13/h2-7,12,15H,8-11H2,1H3.
What are the key properties of N-(furan-3-ylmethyl)-N-methyl-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide?
N-(furan-3-ylmethyl)-N-methyl-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-N-methyl-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 72932772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).