1-[(2R)-2-[6-methyl-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]-2-pyridinyl]pyrrolidin-1-yl]ethanone

C22H27N5O2 — CID 92619883

IUPAC1-[(2R)-2-[6-methyl-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]-2-pyridinyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H]1c1cc(N2CCN(C(=O)c3ccccn3)CC2)cc(C)n1
InChIInChI=1S/C22H27N5O2/c1-16-14-18(15-20(24-16)21-7-5-9-27(21)17(2)28)25-10-12-26(13-11-25)22(29)19-6-3-4-8-23-19/h3-4,6,8,14-15,21H,5,7,9-13H2,1-2H3/t21-/m1/s1
InChIKeyGFCZEDLUFXDFNL-OAQYLSRUSA-N
MW393.49 g/mol
LogP2.43
Rot. Bonds3

About 1-[(2R)-2-[6-methyl-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]-2-pyridinyl]pyrrolidin-1-yl]ethanone

1-[(2R)-2-[6-methyl-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]-2-pyridinyl]pyrrolidin-1-yl]ethanone (PubChem CID 92619883) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 1-[(2R)-2-[6-methyl-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]-2-pyridinyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-[6-methyl-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]-2-pyridinyl]pyrrolidin-1-yl]ethanone
PubChem CID92619883
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name1-[(2R)-2-[6-methyl-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]-2-pyridinyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H]1c1cc(N2CCN(C(=O)c3ccccn3)CC2)cc(C)n1
InChIInChI=1S/C22H27N5O2/c1-16-14-18(15-20(24-16)21-7-5-9-27(21)17(2)28)25-10-12-26(13-11-25)22(29)19-6-3-4-8-23-19/h3-4,6,8,14-15,21H,5,7,9-13H2,1-2H3/t21-/m1/s1
InChIKeyGFCZEDLUFXDFNL-OAQYLSRUSA-N
XLogP2.43
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[2-methyl-6-[(2R)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]ethanone
CID 92619790
1-[(2R)-2-[4-(4-benzoylpiperazin-1-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 92619845
1-[4-[2-[(2S)-1-acetylpyrrolidin-2-yl]-6-methyl-4-pyridinyl]piperazin-1-yl]-2-methylpropan-1-one
CID 92619873
1-[2-[4-(4-acetylpiperazin-1-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 110092922
N-[2-[4-[2-(1-acetylpyrrolidin-2-yl)-6-methyl-4-pyridinyl]piperazin-1-yl]-2-oxoethyl]acetamide
CID 110260474
2-[4-[2-[(2R)-1-acetylpyrrolidin-2-yl]-6-methyl-4-pyridinyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 92619680
1-[4-[2-methyl-6-[(2S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]ethanone
CID 92619920
1-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone
CID 102538999
[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-pyridin-2-ylmethanone
CID 122257904
1-[(2R)-2-[6-methyl-4-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 92619780
[3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 110091917
1-[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]ethanone
CID 168983000

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[6-methyl-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]-2-pyridinyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(2R)-2-[6-methyl-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]-2-pyridinyl]pyrrolidin-1-yl]ethanone (CID 92619883) is 1-[(2R)-2-[6-methyl-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]-2-pyridinyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-[6-methyl-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]-2-pyridinyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-[6-methyl-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]-2-pyridinyl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCC[C@@H]1c1cc(N2CCN(C(=O)c3ccccn3)CC2)cc(C)n1.
What is the InChIKey of 1-[(2R)-2-[6-methyl-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]-2-pyridinyl]pyrrolidin-1-yl]ethanone?
The InChIKey is GFCZEDLUFXDFNL-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-16-14-18(15-20(24-16)21-7-5-9-27(21)17(2)28)25-10-12-26(13-11-25)22(29)19-6-3-4-8-23-19/h3-4,6,8,14-15,21H,5,7,9-13H2,1-2H3/t21-/m1/s1.
What are the key properties of 1-[(2R)-2-[6-methyl-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]-2-pyridinyl]pyrrolidin-1-yl]ethanone?
1-[(2R)-2-[6-methyl-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]-2-pyridinyl]pyrrolidin-1-yl]ethanone has a molecular weight of 393.49 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[6-methyl-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]-2-pyridinyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 92619883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).