(2R)-1-[3-(furan-2-yl)propanoyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide

C22H24N4O3 — CID 42456646

IUPAC(2R)-1-[3-(furan-2-yl)propanoyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide
SMILESCc1nccn1-c1ccc(NC(=O)[C@H]2CCCN2C(=O)CCc2ccco2)cc1
InChIInChI=1S/C22H24N4O3/c1-16-23-12-14-25(16)18-8-6-17(7-9-18)24-22(28)20-5-2-13-26(20)21(27)11-10-19-4-3-15-29-19/h3-4,6-9,12,14-15,20H,2,5,10-11,13H2,1H3,(H,24,28)/t20-/m1/s1
InChIKeyHGONKWRSAWZEJT-HXUWFJFHSA-N
MW392.46 g/mol
LogP3.34
Rot. Bonds6

About (2R)-1-[3-(furan-2-yl)propanoyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide

(2R)-1-[3-(furan-2-yl)propanoyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 42456646) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is (2R)-1-[3-(furan-2-yl)propanoyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[3-(furan-2-yl)propanoyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide
PubChem CID42456646
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name(2R)-1-[3-(furan-2-yl)propanoyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide
SMILESCc1nccn1-c1ccc(NC(=O)[C@H]2CCCN2C(=O)CCc2ccco2)cc1
InChIInChI=1S/C22H24N4O3/c1-16-23-12-14-25(16)18-8-6-17(7-9-18)24-22(28)20-5-2-13-26(20)21(27)11-10-19-4-3-15-29-19/h3-4,6-9,12,14-15,20H,2,5,10-11,13H2,1H3,(H,24,28)/t20-/m1/s1
InChIKeyHGONKWRSAWZEJT-HXUWFJFHSA-N
XLogP3.34
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-methylimidazol-1-yl)phenyl]-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide
CID 45245345
1-[(1-methylimidazol-2-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 45191571
tert-butyl (2R)-1-[3-(furan-2-yl)propanoyl]pyrrolidine-2-carboxylate
CID 80998556
N-[4-(2-methylimidazol-1-yl)phenyl]-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide
CID 45230803
(2S)-2-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]pyrrolidine-1,2-dicarboxamide
CID 131915667
1-butanoyl-N-phenylpyrrolidine-2-carboxamide
CID 47156007
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 45234559
(2R,3R)-1-[3-(furan-2-yl)propanoyl]-2-methylpiperidine-3-carboxylic acid
CID 122116502
1-[3-(furan-2-yl)propanoyl]-N'-hydroxypiperidine-2-carboximidamide
CID 77041818
3-(furan-2-yl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 79030540
1-(1-benzofuran-2-ylmethyl)-N-[4-(2-methylimidazol-1-yl)phenyl]piperidine-3-carboxamide
CID 45217335
1-(furan-2-carbonyl)-N-[4-(4-methylphenoxy)phenyl]pyrrolidine-2-carboxamide
CID 24658906

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-(furan-2-yl)propanoyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[3-(furan-2-yl)propanoyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide (CID 42456646) is (2R)-1-[3-(furan-2-yl)propanoyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[3-(furan-2-yl)propanoyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[3-(furan-2-yl)propanoyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide is Cc1nccn1-c1ccc(NC(=O)[C@H]2CCCN2C(=O)CCc2ccco2)cc1.
What is the InChIKey of (2R)-1-[3-(furan-2-yl)propanoyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is HGONKWRSAWZEJT-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-16-23-12-14-25(16)18-8-6-17(7-9-18)24-22(28)20-5-2-13-26(20)21(27)11-10-19-4-3-15-29-19/h3-4,6-9,12,14-15,20H,2,5,10-11,13H2,1H3,(H,24,28)/t20-/m1/s1.
What are the key properties of (2R)-1-[3-(furan-2-yl)propanoyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide?
(2R)-1-[3-(furan-2-yl)propanoyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-(furan-2-yl)propanoyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 42456646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).