(3R)-N-ethyl-1-[3-(3-methyl-2-pyridinyl)benzoyl]pyrrolidine-3-carboxamide

C20H23N3O2 — CID 125178146

IUPAC(3R)-N-ethyl-1-[3-(3-methyl-2-pyridinyl)benzoyl]pyrrolidine-3-carboxamide
SMILESCCNC(=O)[C@@H]1CCN(C(=O)c2cccc(-c3ncccc3C)c2)C1
InChIInChI=1S/C20H23N3O2/c1-3-21-19(24)17-9-11-23(13-17)20(25)16-8-4-7-15(12-16)18-14(2)6-5-10-22-18/h4-8,10,12,17H,3,9,11,13H2,1-2H3,(H,21,24)/t17-/m1/s1
InChIKeyRZGAOOXWLYYSAG-QGZVFWFLSA-N
MW337.42 g/mol
LogP2.66
Rot. Bonds4

About (3R)-N-ethyl-1-[3-(3-methyl-2-pyridinyl)benzoyl]pyrrolidine-3-carboxamide

(3R)-N-ethyl-1-[3-(3-methyl-2-pyridinyl)benzoyl]pyrrolidine-3-carboxamide (PubChem CID 125178146) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is (3R)-N-ethyl-1-[3-(3-methyl-2-pyridinyl)benzoyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-ethyl-1-[3-(3-methyl-2-pyridinyl)benzoyl]pyrrolidine-3-carboxamide
PubChem CID125178146
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name(3R)-N-ethyl-1-[3-(3-methyl-2-pyridinyl)benzoyl]pyrrolidine-3-carboxamide
SMILESCCNC(=O)[C@@H]1CCN(C(=O)c2cccc(-c3ncccc3C)c2)C1
InChIInChI=1S/C20H23N3O2/c1-3-21-19(24)17-9-11-23(13-17)20(25)16-8-4-7-15(12-16)18-14(2)6-5-10-22-18/h4-8,10,12,17H,3,9,11,13H2,1-2H3,(H,21,24)/t17-/m1/s1
InChIKeyRZGAOOXWLYYSAG-QGZVFWFLSA-N
XLogP2.66
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-chloro-2-methylphenyl)benzoyl]-N-ethylpyrrolidine-3-carboxamide
CID 119070931
(3S)-N-ethyl-1-(3-quinoxalin-2-ylbenzoyl)pyrrolidine-3-carboxamide
CID 126440042
N-ethyl-1-(2-fluoropyridine-4-carbonyl)piperidine-4-carboxamide
CID 61294389
N-ethyl-1-[3-(2-phenylethoxy)benzoyl]pyrrolidine-3-carboxamide
CID 131901390
N-[1-[3-(3-hydroxy-2-pyridinyl)benzoyl]piperidin-3-yl]acetamide
CID 121494225
(3R)-3-N-ethyl-1-N-[4-(3-methylphenyl)phenyl]pyrrolidine-1,3-dicarboxamide
CID 125178178
1-(3-methylbenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 113004430
[(5R)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-[3-(3-methyl-2-pyridinyl)phenyl]methanone
CID 125178083
methyl 1-(quinoline-6-carbonyl)pyrrolidine-3-carboxylate
CID 78988205
(3R)-1-(3-methoxybenzoyl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-3-carboxamide
CID 92635325
(3S)-N-ethyl-1-[2-[(3-fluoro-4-methylphenyl)methyl]benzoyl]pyrrolidine-3-carboxamide
CID 124751964
N-ethyl-1-[2-[(3-fluoro-4-methylphenyl)methyl]benzoyl]pyrrolidine-3-carboxamide
CID 91841001

Frequently Asked Questions

What is the IUPAC name of (3R)-N-ethyl-1-[3-(3-methyl-2-pyridinyl)benzoyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-ethyl-1-[3-(3-methyl-2-pyridinyl)benzoyl]pyrrolidine-3-carboxamide (CID 125178146) is (3R)-N-ethyl-1-[3-(3-methyl-2-pyridinyl)benzoyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-ethyl-1-[3-(3-methyl-2-pyridinyl)benzoyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-ethyl-1-[3-(3-methyl-2-pyridinyl)benzoyl]pyrrolidine-3-carboxamide is CCNC(=O)[C@@H]1CCN(C(=O)c2cccc(-c3ncccc3C)c2)C1.
What is the InChIKey of (3R)-N-ethyl-1-[3-(3-methyl-2-pyridinyl)benzoyl]pyrrolidine-3-carboxamide?
The InChIKey is RZGAOOXWLYYSAG-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-3-21-19(24)17-9-11-23(13-17)20(25)16-8-4-7-15(12-16)18-14(2)6-5-10-22-18/h4-8,10,12,17H,3,9,11,13H2,1-2H3,(H,21,24)/t17-/m1/s1.
What are the key properties of (3R)-N-ethyl-1-[3-(3-methyl-2-pyridinyl)benzoyl]pyrrolidine-3-carboxamide?
(3R)-N-ethyl-1-[3-(3-methyl-2-pyridinyl)benzoyl]pyrrolidine-3-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-ethyl-1-[3-(3-methyl-2-pyridinyl)benzoyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 125178146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).