1-[2-(2-fluorophenyl)acetyl]-4-hydroxy-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrrolidine-2-carboxamide

C22H26FN3O4 — CID 154849911

IUPAC1-[2-(2-fluorophenyl)acetyl]-4-hydroxy-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
SMILESCOc1nc(C)cc(C)c1CNC(=O)C1CC(O)CN1C(=O)Cc1ccccc1F
InChIInChI=1S/C22H26FN3O4/c1-13-8-14(2)25-22(30-3)17(13)11-24-21(29)19-10-16(27)12-26(19)20(28)9-15-6-4-5-7-18(15)23/h4-8,16,19,27H,9-12H2,1-3H3,(H,24,29)
InChIKeyRUWICBMLBFZNHZ-UHFFFAOYSA-N
MW415.47 g/mol
LogP1.67
Rot. Bonds6

About 1-[2-(2-fluorophenyl)acetyl]-4-hydroxy-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrrolidine-2-carboxamide

1-[2-(2-fluorophenyl)acetyl]-4-hydroxy-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 154849911) has the molecular formula C22H26FN3O4 and a molecular weight of 415.47 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)acetyl]-4-hydroxy-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)acetyl]-4-hydroxy-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
PubChem CID154849911
Molecular FormulaC22H26FN3O4
Molecular Weight415.47 g/mol
Exact Mass415.19
IUPAC Name1-[2-(2-fluorophenyl)acetyl]-4-hydroxy-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
SMILESCOc1nc(C)cc(C)c1CNC(=O)C1CC(O)CN1C(=O)Cc1ccccc1F
InChIInChI=1S/C22H26FN3O4/c1-13-8-14(2)25-22(30-3)17(13)11-24-21(29)19-10-16(27)12-26(19)20(28)9-15-6-4-5-7-18(15)23/h4-8,16,19,27H,9-12H2,1-3H3,(H,24,29)
InChIKeyRUWICBMLBFZNHZ-UHFFFAOYSA-N
XLogP1.67
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-(2-fluorophenyl)acetyl]-4-hydroxy-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

3-(ethylamino)-N-((2S,3R)-3-hydroxy-4-((6-methoxypyridin-2-yl)methylamino)-1-phenylbutan-2-yl)-5-(2-oxopyrrolidin-1-yl)benzamide
CID 44446211
(2S)-N-[(1R)-2-hydroxy-1-[2-methyl-6-[(2S)-2-methylbutoxy]-3-pyridinyl]ethyl]-2-phenylpropanamide
CID 118730012
US11072585, Example 16
CID 122536337
[3-[4-(aminomethyl)-6-(trifluoromethyl)pyridin-2-yl]oxyphenyl]-[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]methanone;hydrochloride
CID 132253102
(2S,4R)-4-fluoro-1-[2-(6-methoxy-2-pyridinyl)acetyl]-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 165139982
(2S,4R)-1-acetyl-4-fluoro-N-[(6-fluoro-5-propan-2-yl-2-pyridinyl)-(3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 165140589
(4R)-N-{[2-(2,4-difluorophenoxy)pyridin-3-yl]methyl}-4-hydroxy-L-prolinamide
CID 56741685
1-[(3S,4R)-3-benzyl-4-hydroxypyrrolidin-1-yl]-2-(6-ethoxy-2-pyridinyl)ethanone
CID 164634414
5-(3,4-Difluorophenyl)-1-(2-methoxy-6-methylpyridine-4-carbonyl)pyrrolidin-3-ol
CID 128965819
N-[2-[(3S)-3-[[4-hydroxy-4-(6-methoxypyridin-2-yl)cyclohexyl]amino]pyrrolidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 11191613
N-[2-[3-[[4-hydroxy-4-(6-methoxypyridin-2-yl)cyclohexyl]amino]pyrrolidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 57803288
(2R,3R)-2,3-dihydroxy-N-[[6-methoxy-5-[2-(trifluoromethoxy)phenyl]pyridin-2-yl]methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide
CID 57984782

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)acetyl]-4-hydroxy-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(2-fluorophenyl)acetyl]-4-hydroxy-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrrolidine-2-carboxamide (CID 154849911) is 1-[2-(2-fluorophenyl)acetyl]-4-hydroxy-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(2-fluorophenyl)acetyl]-4-hydroxy-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(2-fluorophenyl)acetyl]-4-hydroxy-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrrolidine-2-carboxamide is COc1nc(C)cc(C)c1CNC(=O)C1CC(O)CN1C(=O)Cc1ccccc1F.
What is the InChIKey of 1-[2-(2-fluorophenyl)acetyl]-4-hydroxy-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is RUWICBMLBFZNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O4/c1-13-8-14(2)25-22(30-3)17(13)11-24-21(29)19-10-16(27)12-26(19)20(28)9-15-6-4-5-7-18(15)23/h4-8,16,19,27H,9-12H2,1-3H3,(H,24,29).
What are the key properties of 1-[2-(2-fluorophenyl)acetyl]-4-hydroxy-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrrolidine-2-carboxamide?
1-[2-(2-fluorophenyl)acetyl]-4-hydroxy-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 415.47 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)acetyl]-4-hydroxy-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 154849911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).