(2R)-1-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide

C20H25N3O3 — CID 94826679

IUPAC(2R)-1-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESCc1cc(C(=O)N2CCC[C@@H]2C(=O)NCc2ccco2)c(C)n1C1CC1
InChIInChI=1S/C20H25N3O3/c1-13-11-17(14(2)23(13)15-7-8-15)20(25)22-9-3-6-18(22)19(24)21-12-16-5-4-10-26-16/h4-5,10-11,15,18H,3,6-9,12H2,1-2H3,(H,21,24)/t18-/m1/s1
InChIKeyUUVYNMUUBMWVGT-GOSISDBHSA-N
MW355.44 g/mol
LogP2.95
Rot. Bonds5

About (2R)-1-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide

(2R)-1-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 94826679) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is (2R)-1-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID94826679
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name(2R)-1-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESCc1cc(C(=O)N2CCC[C@@H]2C(=O)NCc2ccco2)c(C)n1C1CC1
InChIInChI=1S/C20H25N3O3/c1-13-11-17(14(2)23(13)15-7-8-15)20(25)22-9-3-6-18(22)19(24)21-12-16-5-4-10-26-16/h4-5,10-11,15,18H,3,6-9,12H2,1-2H3,(H,21,24)/t18-/m1/s1
InChIKeyUUVYNMUUBMWVGT-GOSISDBHSA-N
XLogP2.95
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide (CID 94826679) is (2R)-1-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide is Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NCc2ccco2)c(C)n1C1CC1.
What is the InChIKey of (2R)-1-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is UUVYNMUUBMWVGT-GOSISDBHSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-13-11-17(14(2)23(13)15-7-8-15)20(25)22-9-3-6-18(22)19(24)21-12-16-5-4-10-26-16/h4-5,10-11,15,18H,3,6-9,12H2,1-2H3,(H,21,24)/t18-/m1/s1.
What are the key properties of (2R)-1-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide?
(2R)-1-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 94826679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).