(3R)-1-(furan-2-ylmethyl)-N-(1H-indol-4-yl)-5-oxopyrrolidine-3-carboxamide

C18H17N3O3 — CID 95858832

IUPAC(3R)-1-(furan-2-ylmethyl)-N-(1H-indol-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc2[nH]ccc12)[C@@H]1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C18H17N3O3/c22-17-9-12(10-21(17)11-13-3-2-8-24-13)18(23)20-16-5-1-4-15-14(16)6-7-19-15/h1-8,12,19H,9-11H2,(H,20,23)/t12-/m1/s1
InChIKeySXQFDORXGHWNAY-GFCCVEGCSA-N
MW323.35 g/mol
LogP2.75
Rot. Bonds4

About (3R)-1-(furan-2-ylmethyl)-N-(1H-indol-4-yl)-5-oxopyrrolidine-3-carboxamide

(3R)-1-(furan-2-ylmethyl)-N-(1H-indol-4-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 95858832) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is (3R)-1-(furan-2-ylmethyl)-N-(1H-indol-4-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(furan-2-ylmethyl)-N-(1H-indol-4-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID95858832
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name(3R)-1-(furan-2-ylmethyl)-N-(1H-indol-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc2[nH]ccc12)[C@@H]1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C18H17N3O3/c22-17-9-12(10-21(17)11-13-3-2-8-24-13)18(23)20-16-5-1-4-15-14(16)6-7-19-15/h1-8,12,19H,9-11H2,(H,20,23)/t12-/m1/s1
InChIKeySXQFDORXGHWNAY-GFCCVEGCSA-N
XLogP2.75
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-ylmethyl)-N-(2-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78768111
N-(2,6-dichlorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 113183148
(3R)-N-(4-fluorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 6931900
1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47099759
(3R)-1-(furan-2-ylmethyl)-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39314628
N-(3-acetamidophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 51149894
(3S)-N-(4-fluoro-2-methylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 8864389
N-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 42909280
N-(3,5-dichlorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 55341921
(3S)-N-(2-ethoxy-3-pyridinyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 34954333
N-(3-acetylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 18077896
1-(furan-2-ylmethyl)-N-[2-(4-methylphenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 42908533

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(furan-2-ylmethyl)-N-(1H-indol-4-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(furan-2-ylmethyl)-N-(1H-indol-4-yl)-5-oxopyrrolidine-3-carboxamide (CID 95858832) is (3R)-1-(furan-2-ylmethyl)-N-(1H-indol-4-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(furan-2-ylmethyl)-N-(1H-indol-4-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(furan-2-ylmethyl)-N-(1H-indol-4-yl)-5-oxopyrrolidine-3-carboxamide is O=C(Nc1cccc2[nH]ccc12)[C@@H]1CC(=O)N(Cc2ccco2)C1.
What is the InChIKey of (3R)-1-(furan-2-ylmethyl)-N-(1H-indol-4-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SXQFDORXGHWNAY-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H17N3O3/c22-17-9-12(10-21(17)11-13-3-2-8-24-13)18(23)20-16-5-1-4-15-14(16)6-7-19-15/h1-8,12,19H,9-11H2,(H,20,23)/t12-/m1/s1.
What are the key properties of (3R)-1-(furan-2-ylmethyl)-N-(1H-indol-4-yl)-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(furan-2-ylmethyl)-N-(1H-indol-4-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(furan-2-ylmethyl)-N-(1H-indol-4-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 95858832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).