5-[3-[(3S)-3-acetamidopyrrolidine-1-carbonyl]phenyl]-N-methylfuran-2-carboxamide

C19H21N3O4 — CID 126452342

IUPAC5-[3-[(3S)-3-acetamidopyrrolidine-1-carbonyl]phenyl]-N-methylfuran-2-carboxamide
SMILESCNC(=O)c1ccc(-c2cccc(C(=O)N3CC[C@H](NC(C)=O)C3)c2)o1
InChIInChI=1S/C19H21N3O4/c1-12(23)21-15-8-9-22(11-15)19(25)14-5-3-4-13(10-14)16-6-7-17(26-16)18(24)20-2/h3-7,10,15H,8-9,11H2,1-2H3,(H,20,24)(H,21,23)/t15-/m0/s1
InChIKeyZCYCXSUEEJYATD-HNNXBMFYSA-N
MW355.39 g/mol
LogP1.66
Rot. Bonds4

About 5-[3-[(3S)-3-acetamidopyrrolidine-1-carbonyl]phenyl]-N-methylfuran-2-carboxamide

5-[3-[(3S)-3-acetamidopyrrolidine-1-carbonyl]phenyl]-N-methylfuran-2-carboxamide (PubChem CID 126452342) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 5-[3-[(3S)-3-acetamidopyrrolidine-1-carbonyl]phenyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[3-[(3S)-3-acetamidopyrrolidine-1-carbonyl]phenyl]-N-methylfuran-2-carboxamide
PubChem CID126452342
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name5-[3-[(3S)-3-acetamidopyrrolidine-1-carbonyl]phenyl]-N-methylfuran-2-carboxamide
SMILESCNC(=O)c1ccc(-c2cccc(C(=O)N3CC[C@H](NC(C)=O)C3)c2)o1
InChIInChI=1S/C19H21N3O4/c1-12(23)21-15-8-9-22(11-15)19(25)14-5-3-4-13(10-14)16-6-7-17(26-16)18(24)20-2/h3-7,10,15H,8-9,11H2,1-2H3,(H,20,24)(H,21,23)/t15-/m0/s1
InChIKeyZCYCXSUEEJYATD-HNNXBMFYSA-N
XLogP1.66
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[3-[(3S)-3-acetamidopyrrolidine-1-carbonyl]phenyl]-1H-pyrrole-2-carboxylate
CID 126425036
N-[1-[3-(2-methyl-4-pyridinyl)benzoyl]pyrrolidin-3-yl]acetamide
CID 118773574
N-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]acetamide
CID 95051606
N-[(3R)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]acetamide
CID 95051605
N-[(3R)-1-[3-(2,4-dimethoxyphenyl)benzoyl]pyrrolidin-3-yl]acetamide
CID 125164313
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[3-(methylcarbamoyl)phenyl]furan-2-carboxamide
CID 18182100
N-[(3R)-1-[3-[6-(dimethylamino)pyrazin-2-yl]benzoyl]pyrrolidin-3-yl]acetamide
CID 125445185
N-[1-[3-(3-hydroxy-2-pyridinyl)benzoyl]piperidin-3-yl]acetamide
CID 121494225
1-[(3R)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]-3-methylurea
CID 95051713
N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide
CID 49348900
5-[4-[(3S)-3-acetamidopyrrolidine-1-carbonyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 59275673
5-[3-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 72884179

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(3S)-3-acetamidopyrrolidine-1-carbonyl]phenyl]-N-methylfuran-2-carboxamide?
The IUPAC name of 5-[3-[(3S)-3-acetamidopyrrolidine-1-carbonyl]phenyl]-N-methylfuran-2-carboxamide (CID 126452342) is 5-[3-[(3S)-3-acetamidopyrrolidine-1-carbonyl]phenyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for 5-[3-[(3S)-3-acetamidopyrrolidine-1-carbonyl]phenyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for 5-[3-[(3S)-3-acetamidopyrrolidine-1-carbonyl]phenyl]-N-methylfuran-2-carboxamide is CNC(=O)c1ccc(-c2cccc(C(=O)N3CC[C@H](NC(C)=O)C3)c2)o1.
What is the InChIKey of 5-[3-[(3S)-3-acetamidopyrrolidine-1-carbonyl]phenyl]-N-methylfuran-2-carboxamide?
The InChIKey is ZCYCXSUEEJYATD-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-12(23)21-15-8-9-22(11-15)19(25)14-5-3-4-13(10-14)16-6-7-17(26-16)18(24)20-2/h3-7,10,15H,8-9,11H2,1-2H3,(H,20,24)(H,21,23)/t15-/m0/s1.
What are the key properties of 5-[3-[(3S)-3-acetamidopyrrolidine-1-carbonyl]phenyl]-N-methylfuran-2-carboxamide?
5-[3-[(3S)-3-acetamidopyrrolidine-1-carbonyl]phenyl]-N-methylfuran-2-carboxamide has a molecular weight of 355.39 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(3S)-3-acetamidopyrrolidine-1-carbonyl]phenyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 126452342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).