(2R,3R)-2-(1,3-benzodioxol-5-yl)-1-methyl-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide

C18H17N3O4 — CID 97263717

IUPAC(2R,3R)-2-(1,3-benzodioxol-5-yl)-1-methyl-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide
SMILESCN1C(=O)C[C@@H](C(=O)Nc2ccccn2)[C@@H]1c1ccc2c(c1)OCO2
InChIInChI=1S/C18H17N3O4/c1-21-16(22)9-12(18(23)20-15-4-2-3-7-19-15)17(21)11-5-6-13-14(8-11)25-10-24-13/h2-8,12,17H,9-10H2,1H3,(H,19,20,23)/t12-,17+/m1/s1
InChIKeyIJNZFWHLMKNDSQ-PXAZEXFGSA-N
MW339.35 g/mol
LogP1.97
Rot. Bonds3

About (2R,3R)-2-(1,3-benzodioxol-5-yl)-1-methyl-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide

(2R,3R)-2-(1,3-benzodioxol-5-yl)-1-methyl-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide (PubChem CID 97263717) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is (2R,3R)-2-(1,3-benzodioxol-5-yl)-1-methyl-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-2-(1,3-benzodioxol-5-yl)-1-methyl-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide
PubChem CID97263717
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name(2R,3R)-2-(1,3-benzodioxol-5-yl)-1-methyl-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide
SMILESCN1C(=O)C[C@@H](C(=O)Nc2ccccn2)[C@@H]1c1ccc2c(c1)OCO2
InChIInChI=1S/C18H17N3O4/c1-21-16(22)9-12(18(23)20-15-4-2-3-7-19-15)17(21)11-5-6-13-14(8-11)25-10-24-13/h2-8,12,17H,9-10H2,1H3,(H,19,20,23)/t12-,17+/m1/s1
InChIKeyIJNZFWHLMKNDSQ-PXAZEXFGSA-N
XLogP1.97
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R)-1-methyl-5-oxo-2-phenyl-N-pyridin-2-ylpyrrolidine-3-carboxamide
CID 29131786
(2R,3S)-2-(1,3-benzodioxol-5-yl)-1-methyl-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 97265024
(3S,4S)-3-(1,3-benzodioxol-5-yl)-2-methyl-1-oxo-N-pyridin-2-yl-3,4-dihydroisoquinoline-4-carboxamide
CID 51973955
1-methyl-5-oxo-N-pyridin-2-yl-2-(2,3,4-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 52996250
(2S,3S)-1-methyl-N-(3-methyl-2-pyridinyl)-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 29136965
(7S)-7-(1,3-benzodioxol-5-yl)-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 1217470
N-(2-bromophenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 42652477
(2S,3S)-2-(3-chlorophenyl)-1-methyl-5-oxo-N'-pyrimidin-2-ylpyrrolidine-3-carbohydrazide
CID 95628484
(4S,7R)-4-(1,3-benzodioxol-5-yl)-7-(furan-2-yl)-2-methyl-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 28588109
N-(4-hydroxyphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 42651384
(2R)-5-chloro-N-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 35035471
(3S,4R)-3-(1,3-benzodioxol-5-yl)-1-oxo-2-propyl-N-(pyridin-2-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide
CID 93020545

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(1,3-benzodioxol-5-yl)-1-methyl-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of (2R,3R)-2-(1,3-benzodioxol-5-yl)-1-methyl-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide (CID 97263717) is (2R,3R)-2-(1,3-benzodioxol-5-yl)-1-methyl-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-2-(1,3-benzodioxol-5-yl)-1-methyl-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (2R,3R)-2-(1,3-benzodioxol-5-yl)-1-methyl-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide is CN1C(=O)C[C@@H](C(=O)Nc2ccccn2)[C@@H]1c1ccc2c(c1)OCO2.
What is the InChIKey of (2R,3R)-2-(1,3-benzodioxol-5-yl)-1-methyl-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide?
The InChIKey is IJNZFWHLMKNDSQ-PXAZEXFGSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-21-16(22)9-12(18(23)20-15-4-2-3-7-19-15)17(21)11-5-6-13-14(8-11)25-10-24-13/h2-8,12,17H,9-10H2,1H3,(H,19,20,23)/t12-,17+/m1/s1.
What are the key properties of (2R,3R)-2-(1,3-benzodioxol-5-yl)-1-methyl-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide?
(2R,3R)-2-(1,3-benzodioxol-5-yl)-1-methyl-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide has a molecular weight of 339.35 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(1,3-benzodioxol-5-yl)-1-methyl-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 97263717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).