(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-[(3R)-3-phenylpyrrolidin-1-yl]methanone

C22H23N3O — CID 97067813

IUPAC(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-[(3R)-3-phenylpyrrolidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CC[C@H](c3ccccc3)C2)c(C)n1-c1cccnc1
InChIInChI=1S/C22H23N3O/c1-16-13-21(17(2)25(16)20-9-6-11-23-14-20)22(26)24-12-10-19(15-24)18-7-4-3-5-8-18/h3-9,11,13-14,19H,10,12,15H2,1-2H3/t19-/m0/s1
InChIKeyYNTOZLWICJMPAI-IBGZPJMESA-N
MW345.45 g/mol
LogP4.12
Rot. Bonds3

About (2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-[(3R)-3-phenylpyrrolidin-1-yl]methanone

(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-[(3R)-3-phenylpyrrolidin-1-yl]methanone (PubChem CID 97067813) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is (2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-[(3R)-3-phenylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-[(3R)-3-phenylpyrrolidin-1-yl]methanone
PubChem CID97067813
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-[(3R)-3-phenylpyrrolidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CC[C@H](c3ccccc3)C2)c(C)n1-c1cccnc1
InChIInChI=1S/C22H23N3O/c1-16-13-21(17(2)25(16)20-9-6-11-23-14-20)22(26)24-12-10-19(15-24)18-7-4-3-5-8-18/h3-9,11,13-14,19H,10,12,15H2,1-2H3/t19-/m0/s1
InChIKeyYNTOZLWICJMPAI-IBGZPJMESA-N
XLogP4.12
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-[(2R)-2-ethylmorpholin-4-yl]methanone
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(2-fluoro-5-methylphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
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CID 119372805
(2-fluoro-4-methylphenyl)-(3-phenylpyrrolidin-1-yl)methanone
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(2,5-dimethyl-1-phenylpyrrol-3-yl)-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone
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(2,5-dimethyl-1-phenylpyrrol-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone
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(5-phenyl-1,2-oxazol-4-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
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4-(2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carbonyl)-N-(3-methylphenyl)piperazine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-[(3R)-3-phenylpyrrolidin-1-yl]methanone?
The IUPAC name of (2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-[(3R)-3-phenylpyrrolidin-1-yl]methanone (CID 97067813) is (2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-[(3R)-3-phenylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-[(3R)-3-phenylpyrrolidin-1-yl]methanone?
The canonical SMILES for (2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-[(3R)-3-phenylpyrrolidin-1-yl]methanone is Cc1cc(C(=O)N2CC[C@H](c3ccccc3)C2)c(C)n1-c1cccnc1.
What is the InChIKey of (2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-[(3R)-3-phenylpyrrolidin-1-yl]methanone?
The InChIKey is YNTOZLWICJMPAI-IBGZPJMESA-N. The full InChI is InChI=1S/C22H23N3O/c1-16-13-21(17(2)25(16)20-9-6-11-23-14-20)22(26)24-12-10-19(15-24)18-7-4-3-5-8-18/h3-9,11,13-14,19H,10,12,15H2,1-2H3/t19-/m0/s1.
What are the key properties of (2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-[(3R)-3-phenylpyrrolidin-1-yl]methanone?
(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-[(3R)-3-phenylpyrrolidin-1-yl]methanone has a molecular weight of 345.45 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-[(3R)-3-phenylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 97067813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).