N-[2-[4-[2-(1-acetylpyrrolidin-2-yl)-6-methyl-4-pyridinyl]piperazin-1-yl]-2-oxoethyl]acetamide

C20H29N5O3 — CID 110260474

IUPACN-[2-[4-[2-(1-acetylpyrrolidin-2-yl)-6-methyl-4-pyridinyl]piperazin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCN(c2cc(C)nc(C3CCCN3C(C)=O)c2)CC1
InChIInChI=1S/C20H29N5O3/c1-14-11-17(12-18(22-14)19-5-4-6-25(19)16(3)27)23-7-9-24(10-8-23)20(28)13-21-15(2)26/h11-12,19H,4-10,13H2,1-3H3,(H,21,26)
InChIKeyAJAWKPDFTLBPGH-UHFFFAOYSA-N
MW387.48 g/mol
LogP0.86
Rot. Bonds4

About N-[2-[4-[2-(1-acetylpyrrolidin-2-yl)-6-methyl-4-pyridinyl]piperazin-1-yl]-2-oxoethyl]acetamide

N-[2-[4-[2-(1-acetylpyrrolidin-2-yl)-6-methyl-4-pyridinyl]piperazin-1-yl]-2-oxoethyl]acetamide (PubChem CID 110260474) has the molecular formula C20H29N5O3 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-[2-[4-[2-(1-acetylpyrrolidin-2-yl)-6-methyl-4-pyridinyl]piperazin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[2-(1-acetylpyrrolidin-2-yl)-6-methyl-4-pyridinyl]piperazin-1-yl]-2-oxoethyl]acetamide
PubChem CID110260474
Molecular FormulaC20H29N5O3
Molecular Weight387.48 g/mol
Exact Mass387.23
IUPAC NameN-[2-[4-[2-(1-acetylpyrrolidin-2-yl)-6-methyl-4-pyridinyl]piperazin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCN(c2cc(C)nc(C3CCCN3C(C)=O)c2)CC1
InChIInChI=1S/C20H29N5O3/c1-14-11-17(12-18(22-14)19-5-4-6-25(19)16(3)27)23-7-9-24(10-8-23)20(28)13-21-15(2)26/h11-12,19H,4-10,13H2,1-3H3,(H,21,26)
InChIKeyAJAWKPDFTLBPGH-UHFFFAOYSA-N
XLogP0.86
TPSA85.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[4-[2-(1-acetylpyrrolidin-2-yl)-6-methyl-4-pyridinyl]piperazin-1-yl]-2-oxoethyl]acetamide with MolForge

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Related Compounds

1-[4-[2-[(2S)-1-acetylpyrrolidin-2-yl]-6-methyl-4-pyridinyl]piperazin-1-yl]-2-methylpropan-1-one
CID 92619873
1-[(2R)-2-[4-(4-benzoylpiperazin-1-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 92619845
1-[2-[4-(4-acetylpiperazin-1-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 110092922
2-[4-[2-[(2R)-1-acetylpyrrolidin-2-yl]-6-methyl-4-pyridinyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 92619680
1-[(2R)-2-[6-methyl-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 92619883
1-[4-[2-methyl-6-[(2S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]ethanone
CID 92619920
1-[4-[2-methyl-6-[(2R)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]ethanone
CID 92619790
1-[4-[2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]ethanone
CID 110260425
1-[(2R)-2-[6-methyl-4-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 92619780
3-[2-(1-acetylpyrrolidin-2-yl)-6-methyl-4-pyridinyl]propanoic acid
CID 66510103
N-[[6-[1-(2-acetamidoacetyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 110094831
3-[2-[(2S)-1-acetylpyrrolidin-2-yl]-6-methylpyrimidin-4-yl]-N-(2-amino-2-oxoethyl)propanamide
CID 124975785

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(1-acetylpyrrolidin-2-yl)-6-methyl-4-pyridinyl]piperazin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-[2-[4-[2-(1-acetylpyrrolidin-2-yl)-6-methyl-4-pyridinyl]piperazin-1-yl]-2-oxoethyl]acetamide (CID 110260474) is N-[2-[4-[2-(1-acetylpyrrolidin-2-yl)-6-methyl-4-pyridinyl]piperazin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-[4-[2-(1-acetylpyrrolidin-2-yl)-6-methyl-4-pyridinyl]piperazin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-[4-[2-(1-acetylpyrrolidin-2-yl)-6-methyl-4-pyridinyl]piperazin-1-yl]-2-oxoethyl]acetamide is CC(=O)NCC(=O)N1CCN(c2cc(C)nc(C3CCCN3C(C)=O)c2)CC1.
What is the InChIKey of N-[2-[4-[2-(1-acetylpyrrolidin-2-yl)-6-methyl-4-pyridinyl]piperazin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is AJAWKPDFTLBPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O3/c1-14-11-17(12-18(22-14)19-5-4-6-25(19)16(3)27)23-7-9-24(10-8-23)20(28)13-21-15(2)26/h11-12,19H,4-10,13H2,1-3H3,(H,21,26).
What are the key properties of N-[2-[4-[2-(1-acetylpyrrolidin-2-yl)-6-methyl-4-pyridinyl]piperazin-1-yl]-2-oxoethyl]acetamide?
N-[2-[4-[2-(1-acetylpyrrolidin-2-yl)-6-methyl-4-pyridinyl]piperazin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 387.48 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(1-acetylpyrrolidin-2-yl)-6-methyl-4-pyridinyl]piperazin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 110260474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).