3-[2-[(2S)-1-acetylpyrrolidin-2-yl]-6-methylpyrimidin-4-yl]-N-(2-amino-2-oxoethyl)propanamide

C16H23N5O3 — CID 124975785

IUPAC3-[2-[(2S)-1-acetylpyrrolidin-2-yl]-6-methylpyrimidin-4-yl]-N-(2-amino-2-oxoethyl)propanamide
SMILESCC(=O)N1CCC[C@H]1c1nc(C)cc(CCC(=O)NCC(N)=O)n1
InChIInChI=1S/C16H23N5O3/c1-10-8-12(5-6-15(24)18-9-14(17)23)20-16(19-10)13-4-3-7-21(13)11(2)22/h8,13H,3-7,9H2,1-2H3,(H2,17,23)(H,18,24)/t13-/m0/s1
InChIKeyLAQAPSCOMQXYMH-ZDUSSCGKSA-N
MW333.39 g/mol
LogP0.00
Rot. Bonds6

About 3-[2-[(2S)-1-acetylpyrrolidin-2-yl]-6-methylpyrimidin-4-yl]-N-(2-amino-2-oxoethyl)propanamide

3-[2-[(2S)-1-acetylpyrrolidin-2-yl]-6-methylpyrimidin-4-yl]-N-(2-amino-2-oxoethyl)propanamide (PubChem CID 124975785) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 3-[2-[(2S)-1-acetylpyrrolidin-2-yl]-6-methylpyrimidin-4-yl]-N-(2-amino-2-oxoethyl)propanamide.

Molecular Properties

Compound Name3-[2-[(2S)-1-acetylpyrrolidin-2-yl]-6-methylpyrimidin-4-yl]-N-(2-amino-2-oxoethyl)propanamide
PubChem CID124975785
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Name3-[2-[(2S)-1-acetylpyrrolidin-2-yl]-6-methylpyrimidin-4-yl]-N-(2-amino-2-oxoethyl)propanamide
SMILESCC(=O)N1CCC[C@H]1c1nc(C)cc(CCC(=O)NCC(N)=O)n1
InChIInChI=1S/C16H23N5O3/c1-10-8-12(5-6-15(24)18-9-14(17)23)20-16(19-10)13-4-3-7-21(13)11(2)22/h8,13H,3-7,9H2,1-2H3,(H2,17,23)(H,18,24)/t13-/m0/s1
InChIKeyLAQAPSCOMQXYMH-ZDUSSCGKSA-N
XLogP0.00
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[(3S)-1-acetylpiperidin-3-yl]-6-methylpyrimidin-4-yl]-N-(2-amino-2-oxoethyl)propanamide
CID 95827098
3-[6-methyl-2-[(2S)-1-methylsulfonylpyrrolidin-2-yl]pyrimidin-4-yl]propanamide
CID 95826563
3-[6-methyl-2-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-4-yl]propanoic acid
CID 95823594
1-[(2R)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 124973760
1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 127244749
1-[(2R)-2-[4-methyl-6-(pyrimidin-2-ylamino)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95842240
3-[6-(1-acetylpyrrolidin-2-yl)-2-pyridinyl]-N-methylpropanamide
CID 110269727
N-(2-amino-2-oxoethyl)-3-[6-(1-methylpiperidin-3-yl)-2-pyridinyl]propanamide
CID 110258164
N-[2-[4-[2-(1-acetylpyrrolidin-2-yl)-6-methyl-4-pyridinyl]piperazin-1-yl]-2-oxoethyl]acetamide
CID 110260474
3-[2-(1-acetylpyrrolidin-2-yl)-6-methyl-4-pyridinyl]propanoic acid
CID 66510103
1-[2-[(2R)-1-acetylpyrrolidin-2-yl]-6-methylpyrimidin-4-yl]azetidine-3-carboxylic acid
CID 95825399
3-[6-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidin-4-yl]propanamide
CID 95826565

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2S)-1-acetylpyrrolidin-2-yl]-6-methylpyrimidin-4-yl]-N-(2-amino-2-oxoethyl)propanamide?
The IUPAC name of 3-[2-[(2S)-1-acetylpyrrolidin-2-yl]-6-methylpyrimidin-4-yl]-N-(2-amino-2-oxoethyl)propanamide (CID 124975785) is 3-[2-[(2S)-1-acetylpyrrolidin-2-yl]-6-methylpyrimidin-4-yl]-N-(2-amino-2-oxoethyl)propanamide.
What is the SMILES notation for 3-[2-[(2S)-1-acetylpyrrolidin-2-yl]-6-methylpyrimidin-4-yl]-N-(2-amino-2-oxoethyl)propanamide?
The canonical SMILES for 3-[2-[(2S)-1-acetylpyrrolidin-2-yl]-6-methylpyrimidin-4-yl]-N-(2-amino-2-oxoethyl)propanamide is CC(=O)N1CCC[C@H]1c1nc(C)cc(CCC(=O)NCC(N)=O)n1.
What is the InChIKey of 3-[2-[(2S)-1-acetylpyrrolidin-2-yl]-6-methylpyrimidin-4-yl]-N-(2-amino-2-oxoethyl)propanamide?
The InChIKey is LAQAPSCOMQXYMH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-10-8-12(5-6-15(24)18-9-14(17)23)20-16(19-10)13-4-3-7-21(13)11(2)22/h8,13H,3-7,9H2,1-2H3,(H2,17,23)(H,18,24)/t13-/m0/s1.
What are the key properties of 3-[2-[(2S)-1-acetylpyrrolidin-2-yl]-6-methylpyrimidin-4-yl]-N-(2-amino-2-oxoethyl)propanamide?
3-[2-[(2S)-1-acetylpyrrolidin-2-yl]-6-methylpyrimidin-4-yl]-N-(2-amino-2-oxoethyl)propanamide has a molecular weight of 333.39 g/mol, XLogP of 0.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2S)-1-acetylpyrrolidin-2-yl]-6-methylpyrimidin-4-yl]-N-(2-amino-2-oxoethyl)propanamide is sourced from PubChem (CID 124975785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).