(3S)-N-(2-ethoxy-3-pyridinyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide

C17H19N3O4 — CID 34954333

IUPAC(3S)-N-(2-ethoxy-3-pyridinyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ncccc1NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C17H19N3O4/c1-2-23-17-14(6-3-7-18-17)19-16(22)12-9-15(21)20(10-12)11-13-5-4-8-24-13/h3-8,12H,2,9-11H2,1H3,(H,19,22)/t12-/m0/s1
InChIKeyKURAQSOGGWXHBB-LBPRGKRZSA-N
MW329.36 g/mol
LogP2.06
Rot. Bonds6

About (3S)-N-(2-ethoxy-3-pyridinyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide

(3S)-N-(2-ethoxy-3-pyridinyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 34954333) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is (3S)-N-(2-ethoxy-3-pyridinyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-ethoxy-3-pyridinyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID34954333
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name(3S)-N-(2-ethoxy-3-pyridinyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ncccc1NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C17H19N3O4/c1-2-23-17-14(6-3-7-18-17)19-16(22)12-9-15(21)20(10-12)11-13-5-4-8-24-13/h3-8,12H,2,9-11H2,1H3,(H,19,22)/t12-/m0/s1
InChIKeyKURAQSOGGWXHBB-LBPRGKRZSA-N
XLogP2.06
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-(2-ethoxy-3-pyridinyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 34955432
1-(furan-2-ylmethyl)-N-(2-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78768111
1-(furan-2-ylmethyl)-5-oxo-N-(4-pyrimidin-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 55920995
1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47099759
N-(2,6-dichlorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 113183148
N-(3-acetamidophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 51149894
1-(furan-2-ylmethyl)-N-[2-(4-methylphenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 42908533
1-(furan-2-ylmethyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2998321
(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
methyl (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 42579834
methyl 4-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbenzoate
CID 55531605

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-ethoxy-3-pyridinyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(2-ethoxy-3-pyridinyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (CID 34954333) is (3S)-N-(2-ethoxy-3-pyridinyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2-ethoxy-3-pyridinyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(2-ethoxy-3-pyridinyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is CCOc1ncccc1NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1.
What is the InChIKey of (3S)-N-(2-ethoxy-3-pyridinyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is KURAQSOGGWXHBB-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-2-23-17-14(6-3-7-18-17)19-16(22)12-9-15(21)20(10-12)11-13-5-4-8-24-13/h3-8,12H,2,9-11H2,1H3,(H,19,22)/t12-/m0/s1.
What are the key properties of (3S)-N-(2-ethoxy-3-pyridinyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-N-(2-ethoxy-3-pyridinyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-ethoxy-3-pyridinyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 34954333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).