[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-[2-(3-methoxyanilino)-3-pyridinyl]methanone

C24H25N3O3 — CID 46974434

IUPAC[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-[2-(3-methoxyanilino)-3-pyridinyl]methanone
SMILESCOc1cccc(Nc2ncccc2C(=O)N2CCC(O)(c3ccc(C)cc3)C2)c1
InChIInChI=1S/C24H25N3O3/c1-17-8-10-18(11-9-17)24(29)12-14-27(16-24)23(28)21-7-4-13-25-22(21)26-19-5-3-6-20(15-19)30-2/h3-11,13,15,29H,12,14,16H2,1-2H3,(H,25,26)
InChIKeyMDGVNRZIMMVERV-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.88
Rot. Bonds5

About [3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-[2-(3-methoxyanilino)-3-pyridinyl]methanone

[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-[2-(3-methoxyanilino)-3-pyridinyl]methanone (PubChem CID 46974434) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is [3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-[2-(3-methoxyanilino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-[2-(3-methoxyanilino)-3-pyridinyl]methanone
PubChem CID46974434
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-[2-(3-methoxyanilino)-3-pyridinyl]methanone
SMILESCOc1cccc(Nc2ncccc2C(=O)N2CCC(O)(c3ccc(C)cc3)C2)c1
InChIInChI=1S/C24H25N3O3/c1-17-8-10-18(11-9-17)24(29)12-14-27(16-24)23(28)21-7-4-13-25-22(21)26-19-5-3-6-20(15-19)30-2/h3-11,13,15,29H,12,14,16H2,1-2H3,(H,25,26)
InChIKeyMDGVNRZIMMVERV-UHFFFAOYSA-N
XLogP3.88
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3-methoxyanilino)pyridine-3-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110151518
[4-(3-methoxyphenyl)piperazin-1-yl]-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
CID 38602896
1-[2-(3-methoxyanilino)-3-pyridinyl]-2-methylpropan-1-one
CID 54313685
1-[(4S)-1-[2-(3-methoxyanilino)pyridine-3-carbonyl]azepan-4-yl]-N-methylpyrazole-4-carboxamide
CID 124999126
3-[4-[2-(3-methoxyanilino)pyridine-3-carbonyl]-1-methylpiperazin-2-yl]-N-methylbenzamide
CID 110150714
[2-(3-fluoroanilino)-3-pyridinyl]-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methanone
CID 55955807
[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanone
CID 46974804
1-[2-(3-methoxyanilino)benzoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119257609
[2-(3-methoxyanilino)-3-pyridinyl]-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 124946819
(3-fluoro-4-methoxy-2-pyridinyl)-[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 167964755
[2-(3-methoxyanilino)-3-pyridinyl]-[6-(quinolin-8-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 110150337
[2-(3,4-dimethoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 1431769

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-[2-(3-methoxyanilino)-3-pyridinyl]methanone?
The IUPAC name of [3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-[2-(3-methoxyanilino)-3-pyridinyl]methanone (CID 46974434) is [3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-[2-(3-methoxyanilino)-3-pyridinyl]methanone.
What is the SMILES notation for [3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-[2-(3-methoxyanilino)-3-pyridinyl]methanone?
The canonical SMILES for [3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-[2-(3-methoxyanilino)-3-pyridinyl]methanone is COc1cccc(Nc2ncccc2C(=O)N2CCC(O)(c3ccc(C)cc3)C2)c1.
What is the InChIKey of [3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-[2-(3-methoxyanilino)-3-pyridinyl]methanone?
The InChIKey is MDGVNRZIMMVERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-17-8-10-18(11-9-17)24(29)12-14-27(16-24)23(28)21-7-4-13-25-22(21)26-19-5-3-6-20(15-19)30-2/h3-11,13,15,29H,12,14,16H2,1-2H3,(H,25,26).
What are the key properties of [3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-[2-(3-methoxyanilino)-3-pyridinyl]methanone?
[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-[2-(3-methoxyanilino)-3-pyridinyl]methanone has a molecular weight of 403.48 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-[2-(3-methoxyanilino)-3-pyridinyl]methanone is sourced from PubChem (CID 46974434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).