(3R)-1-benzyl-5-oxo-N-[(1-pyridin-2-ylcyclopropyl)methyl]pyrrolidine-3-carboxamide

C21H23N3O2 — CID 124617392

IUPAC(3R)-1-benzyl-5-oxo-N-[(1-pyridin-2-ylcyclopropyl)methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCC1(c2ccccn2)CC1)[C@@H]1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C21H23N3O2/c25-19-12-17(14-24(19)13-16-6-2-1-3-7-16)20(26)23-15-21(9-10-21)18-8-4-5-11-22-18/h1-8,11,17H,9-10,12-15H2,(H,23,26)/t17-/m1/s1
InChIKeyIAYVHTRFVFUNDX-QGZVFWFLSA-N
MW349.43 g/mol
LogP2.28
Rot. Bonds6

About (3R)-1-benzyl-5-oxo-N-[(1-pyridin-2-ylcyclopropyl)methyl]pyrrolidine-3-carboxamide

(3R)-1-benzyl-5-oxo-N-[(1-pyridin-2-ylcyclopropyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 124617392) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is (3R)-1-benzyl-5-oxo-N-[(1-pyridin-2-ylcyclopropyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-benzyl-5-oxo-N-[(1-pyridin-2-ylcyclopropyl)methyl]pyrrolidine-3-carboxamide
PubChem CID124617392
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name(3R)-1-benzyl-5-oxo-N-[(1-pyridin-2-ylcyclopropyl)methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCC1(c2ccccn2)CC1)[C@@H]1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C21H23N3O2/c25-19-12-17(14-24(19)13-16-6-2-1-3-7-16)20(26)23-15-21(9-10-21)18-8-4-5-11-22-18/h1-8,11,17H,9-10,12-15H2,(H,23,26)/t17-/m1/s1
InChIKeyIAYVHTRFVFUNDX-QGZVFWFLSA-N
XLogP2.28
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-5-oxo-N-[(1-phenylcyclopropyl)methyl]-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 38825464
(3S)-1-benzyl-N-[2-(1H-imidazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 124606549
1-benzyl-N-[3-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 119431391
1-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 124700078
1-[[(3R)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 124700427
(2R)-2-benzyl-3-[[(3S)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 125153798
(3S)-1-[(3-bromophenyl)methyl]-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 93017804
(3R)-1-[(3-bromophenyl)methyl]-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 93017803
1-benzyl-5-oxo-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide
CID 108552482
1-[(4-chlorophenyl)methyl]-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 113183699
1-benzyl-N-[2-(3-chloropropanoylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 108572361
2-benzyl-3-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid
CID 119233557

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-5-oxo-N-[(1-pyridin-2-ylcyclopropyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-benzyl-5-oxo-N-[(1-pyridin-2-ylcyclopropyl)methyl]pyrrolidine-3-carboxamide (CID 124617392) is (3R)-1-benzyl-5-oxo-N-[(1-pyridin-2-ylcyclopropyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-benzyl-5-oxo-N-[(1-pyridin-2-ylcyclopropyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-benzyl-5-oxo-N-[(1-pyridin-2-ylcyclopropyl)methyl]pyrrolidine-3-carboxamide is O=C(NCC1(c2ccccn2)CC1)[C@@H]1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of (3R)-1-benzyl-5-oxo-N-[(1-pyridin-2-ylcyclopropyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is IAYVHTRFVFUNDX-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H23N3O2/c25-19-12-17(14-24(19)13-16-6-2-1-3-7-16)20(26)23-15-21(9-10-21)18-8-4-5-11-22-18/h1-8,11,17H,9-10,12-15H2,(H,23,26)/t17-/m1/s1.
What are the key properties of (3R)-1-benzyl-5-oxo-N-[(1-pyridin-2-ylcyclopropyl)methyl]pyrrolidine-3-carboxamide?
(3R)-1-benzyl-5-oxo-N-[(1-pyridin-2-ylcyclopropyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-5-oxo-N-[(1-pyridin-2-ylcyclopropyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 124617392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).