N-[2-methyl-1-oxo-1-[(2S)-2-(2-pyridin-2-ylpyrimidin-4-yl)pyrrolidin-1-yl]propan-2-yl]-2-phenoxyacetamide

C25H27N5O3 — CID 125014859

IUPACN-[2-methyl-1-oxo-1-[(2S)-2-(2-pyridin-2-ylpyrimidin-4-yl)pyrrolidin-1-yl]propan-2-yl]-2-phenoxyacetamide
SMILESCC(C)(NC(=O)COc1ccccc1)C(=O)N1CCC[C@H]1c1ccnc(-c2ccccn2)n1
InChIInChI=1S/C25H27N5O3/c1-25(2,29-22(31)17-33-18-9-4-3-5-10-18)24(32)30-16-8-12-21(30)19-13-15-27-23(28-19)20-11-6-7-14-26-20/h3-7,9-11,13-15,21H,8,12,16-17H2,1-2H3,(H,29,31)/t21-/m0/s1
InChIKeyWPLFYJZQSQGAAL-NRFANRHFSA-N
MW445.52 g/mol
LogP3.18
Rot. Bonds7

About N-[2-methyl-1-oxo-1-[(2S)-2-(2-pyridin-2-ylpyrimidin-4-yl)pyrrolidin-1-yl]propan-2-yl]-2-phenoxyacetamide

N-[2-methyl-1-oxo-1-[(2S)-2-(2-pyridin-2-ylpyrimidin-4-yl)pyrrolidin-1-yl]propan-2-yl]-2-phenoxyacetamide (PubChem CID 125014859) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-[2-methyl-1-oxo-1-[(2S)-2-(2-pyridin-2-ylpyrimidin-4-yl)pyrrolidin-1-yl]propan-2-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-methyl-1-oxo-1-[(2S)-2-(2-pyridin-2-ylpyrimidin-4-yl)pyrrolidin-1-yl]propan-2-yl]-2-phenoxyacetamide
PubChem CID125014859
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC NameN-[2-methyl-1-oxo-1-[(2S)-2-(2-pyridin-2-ylpyrimidin-4-yl)pyrrolidin-1-yl]propan-2-yl]-2-phenoxyacetamide
SMILESCC(C)(NC(=O)COc1ccccc1)C(=O)N1CCC[C@H]1c1ccnc(-c2ccccn2)n1
InChIInChI=1S/C25H27N5O3/c1-25(2,29-22(31)17-33-18-9-4-3-5-10-18)24(32)30-16-8-12-21(30)19-13-15-27-23(28-19)20-11-6-7-14-26-20/h3-7,9-11,13-15,21H,8,12,16-17H2,1-2H3,(H,29,31)/t21-/m0/s1
InChIKeyWPLFYJZQSQGAAL-NRFANRHFSA-N
XLogP3.18
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(2-methoxyethoxy)phenyl]-[(2S)-2-(2-pyridin-2-ylpyrimidin-4-yl)pyrrolidin-1-yl]methanone
CID 124961803
[3-(pyridin-3-ylmethylamino)phenyl]-[(2R)-2-(2-pyridin-2-ylpyrimidin-4-yl)pyrrolidin-1-yl]methanone
CID 124956459
N-[1-[2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide
CID 155984483
4-[(2R)-1-cyclopentylpyrrolidin-2-yl]-2-pyridin-2-ylpyrimidine
CID 95816040
2-fluoro-N-[1-[(2R)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide
CID 129457763
1-[(2R)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-phenoxyethanone
CID 95838940
N-[1-[(4R)-4-(1H-indazol-4-ylmethyl)azepan-1-yl]-2-methyl-1-oxopropan-2-yl]-2-phenoxyacetamide
CID 124999532
1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-phenoxyethanone
CID 127246927
(E)-3-phenyl-1-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]but-2-en-1-one
CID 94645878
4-(1-pyrazin-2-ylpyrrolidin-2-yl)-2-pyridin-2-ylpyrimidine
CID 110253689
N-[1-[(2S)-2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide
CID 129453383
3-methoxy-N-[3-oxo-3-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]propyl]benzamide
CID 99993065

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-oxo-1-[(2S)-2-(2-pyridin-2-ylpyrimidin-4-yl)pyrrolidin-1-yl]propan-2-yl]-2-phenoxyacetamide?
The IUPAC name of N-[2-methyl-1-oxo-1-[(2S)-2-(2-pyridin-2-ylpyrimidin-4-yl)pyrrolidin-1-yl]propan-2-yl]-2-phenoxyacetamide (CID 125014859) is N-[2-methyl-1-oxo-1-[(2S)-2-(2-pyridin-2-ylpyrimidin-4-yl)pyrrolidin-1-yl]propan-2-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-methyl-1-oxo-1-[(2S)-2-(2-pyridin-2-ylpyrimidin-4-yl)pyrrolidin-1-yl]propan-2-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-methyl-1-oxo-1-[(2S)-2-(2-pyridin-2-ylpyrimidin-4-yl)pyrrolidin-1-yl]propan-2-yl]-2-phenoxyacetamide is CC(C)(NC(=O)COc1ccccc1)C(=O)N1CCC[C@H]1c1ccnc(-c2ccccn2)n1.
What is the InChIKey of N-[2-methyl-1-oxo-1-[(2S)-2-(2-pyridin-2-ylpyrimidin-4-yl)pyrrolidin-1-yl]propan-2-yl]-2-phenoxyacetamide?
The InChIKey is WPLFYJZQSQGAAL-NRFANRHFSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-25(2,29-22(31)17-33-18-9-4-3-5-10-18)24(32)30-16-8-12-21(30)19-13-15-27-23(28-19)20-11-6-7-14-26-20/h3-7,9-11,13-15,21H,8,12,16-17H2,1-2H3,(H,29,31)/t21-/m0/s1.
What are the key properties of N-[2-methyl-1-oxo-1-[(2S)-2-(2-pyridin-2-ylpyrimidin-4-yl)pyrrolidin-1-yl]propan-2-yl]-2-phenoxyacetamide?
N-[2-methyl-1-oxo-1-[(2S)-2-(2-pyridin-2-ylpyrimidin-4-yl)pyrrolidin-1-yl]propan-2-yl]-2-phenoxyacetamide has a molecular weight of 445.52 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-oxo-1-[(2S)-2-(2-pyridin-2-ylpyrimidin-4-yl)pyrrolidin-1-yl]propan-2-yl]-2-phenoxyacetamide is sourced from PubChem (CID 125014859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).