N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide

C21H25N5O3 — CID 136816049

IUPACN-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
SMILESCc1nc(N2CCCC(NC(=O)CC3NC(=O)c4ccccc43)C2)[nH]c(=O)c1C
InChIInChI=1S/C21H25N5O3/c1-12-13(2)22-21(25-19(12)28)26-9-5-6-14(11-26)23-18(27)10-17-15-7-3-4-8-16(15)20(29)24-17/h3-4,7-8,14,17H,5-6,9-11H2,1-2H3,(H,23,27)(H,24,29)(H,22,25,28)
InChIKeyKJYVTNWSPYSMKB-UHFFFAOYSA-N
MW395.46 g/mol
LogP1.35
Rot. Bonds4

About N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide

N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide (PubChem CID 136816049) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
PubChem CID136816049
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC NameN-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
SMILESCc1nc(N2CCCC(NC(=O)CC3NC(=O)c4ccccc43)C2)[nH]c(=O)c1C
InChIInChI=1S/C21H25N5O3/c1-12-13(2)22-21(25-19(12)28)26-9-5-6-14(11-26)23-18(27)10-17-15-7-3-4-8-16(15)20(29)24-17/h3-4,7-8,14,17H,5-6,9-11H2,1-2H3,(H,23,27)(H,24,29)(H,22,25,28)
InChIKeyKJYVTNWSPYSMKB-UHFFFAOYSA-N
XLogP1.35
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-(1-phenylpiperidin-4-yl)acetamide
CID 154843739
N-[(3S)-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-2-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxamide
CID 136888248
(3R)-3-[2-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-2,3-dihydroisoindol-1-one
CID 125170500
(3R)-3-[2-[(2R)-2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2,3-dihydroisoindol-1-one
CID 135963627
2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-pyridin-4-ylacetamide
CID 96557176
N-cyclohexyl-2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]acetamide
CID 51829766
ethyl 4-[[2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetyl]amino]piperidine-1-carboxylate
CID 110209725
N-[1-(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)piperidin-3-yl]butanamide
CID 137263131
N-[1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]piperidin-3-yl]-2-methylpropanamide
CID 137263125
2-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]acetamide
CID 124948305
N-cyclohexyl-2-[(1S)-5-methoxy-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
CID 1432987
N-cyclopentyl-3-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]propanamide
CID 137095027

Frequently Asked Questions

What is the IUPAC name of N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide?
The IUPAC name of N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide (CID 136816049) is N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide.
What is the SMILES notation for N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide?
The canonical SMILES for N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide is Cc1nc(N2CCCC(NC(=O)CC3NC(=O)c4ccccc43)C2)[nH]c(=O)c1C.
What is the InChIKey of N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide?
The InChIKey is KJYVTNWSPYSMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-12-13(2)22-21(25-19(12)28)26-9-5-6-14(11-26)23-18(27)10-17-15-7-3-4-8-16(15)20(29)24-17/h3-4,7-8,14,17H,5-6,9-11H2,1-2H3,(H,23,27)(H,24,29)(H,22,25,28).
What are the key properties of N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide?
N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide has a molecular weight of 395.46 g/mol, XLogP of 1.35, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide is sourced from PubChem (CID 136816049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).