2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-N-(4-methyl-3-pyridinyl)-2-oxoacetamide

C17H19N3O3 — CID 97007974

IUPAC2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-N-(4-methyl-3-pyridinyl)-2-oxoacetamide
SMILESCc1ccc([C@@H]2CCCN2C(=O)C(=O)Nc2cnccc2C)o1
InChIInChI=1S/C17H19N3O3/c1-11-7-8-18-10-13(11)19-16(21)17(22)20-9-3-4-14(20)15-6-5-12(2)23-15/h5-8,10,14H,3-4,9H2,1-2H3,(H,19,21)/t14-/m0/s1
InChIKeyCBOMQUCZBGVIEX-AWEZNQCLSA-N
MW313.36 g/mol
LogP2.59
Rot. Bonds2

About 2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-N-(4-methyl-3-pyridinyl)-2-oxoacetamide

2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-N-(4-methyl-3-pyridinyl)-2-oxoacetamide (PubChem CID 97007974) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-N-(4-methyl-3-pyridinyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-N-(4-methyl-3-pyridinyl)-2-oxoacetamide
PubChem CID97007974
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-N-(4-methyl-3-pyridinyl)-2-oxoacetamide
SMILESCc1ccc([C@@H]2CCCN2C(=O)C(=O)Nc2cnccc2C)o1
InChIInChI=1S/C17H19N3O3/c1-11-7-8-18-10-13(11)19-16(21)17(22)20-9-3-4-14(20)15-6-5-12(2)23-15/h5-8,10,14H,3-4,9H2,1-2H3,(H,19,21)/t14-/m0/s1
InChIKeyCBOMQUCZBGVIEX-AWEZNQCLSA-N
XLogP2.59
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[(2R)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-N-(4-methyl-3-pyridinyl)-2-oxoacetamide
CID 97007973
2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-oxo-N-quinolin-8-ylacetamide
CID 95354467
(2R)-N-[(1R)-1-(3-methoxy-4-pyridinyl)ethyl]-2-(5-methylfuran-2-yl)piperidine-1-carboxamide
CID 124619508
(2S)-N-[2-(dimethylamino)pyrimidin-5-yl]-2-(5-methylfuran-2-yl)piperidine-1-carboxamide
CID 99581240
(2R,4S)-N-(3-fluoro-4-pyridinyl)-4-methyl-2-(5-methylfuran-2-yl)piperidine-1-carboxamide
CID 99584247
4-[[2-(5-methylfuran-2-yl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122023503
N-(5-methyl-3-pyridinyl)-2-oxo-2-(2-pyridin-4-ylpiperidin-1-yl)acetamide
CID 177382925
(2R)-1-[(2S)-2-(5-methylfuran-2-yl)azepan-1-yl]-2-pyrazol-1-ylpropan-1-one
CID 95773818
[2-(5-methylfuran-2-yl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120637389
1-[2-(4-methyl-3-pyridinyl)piperidin-1-yl]ethanone
CID 102539175
N-(2,5-dimethylphenyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
CID 47336445
N-(5-chloro-2-methylphenyl)-2-oxo-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 60551965

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-N-(4-methyl-3-pyridinyl)-2-oxoacetamide?
The IUPAC name of 2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-N-(4-methyl-3-pyridinyl)-2-oxoacetamide (CID 97007974) is 2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-N-(4-methyl-3-pyridinyl)-2-oxoacetamide.
What is the SMILES notation for 2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-N-(4-methyl-3-pyridinyl)-2-oxoacetamide?
The canonical SMILES for 2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-N-(4-methyl-3-pyridinyl)-2-oxoacetamide is Cc1ccc([C@@H]2CCCN2C(=O)C(=O)Nc2cnccc2C)o1.
What is the InChIKey of 2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-N-(4-methyl-3-pyridinyl)-2-oxoacetamide?
The InChIKey is CBOMQUCZBGVIEX-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-11-7-8-18-10-13(11)19-16(21)17(22)20-9-3-4-14(20)15-6-5-12(2)23-15/h5-8,10,14H,3-4,9H2,1-2H3,(H,19,21)/t14-/m0/s1.
What are the key properties of 2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-N-(4-methyl-3-pyridinyl)-2-oxoacetamide?
2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-N-(4-methyl-3-pyridinyl)-2-oxoacetamide has a molecular weight of 313.36 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-N-(4-methyl-3-pyridinyl)-2-oxoacetamide is sourced from PubChem (CID 97007974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).