2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[3-(2-pyridin-4-ylethyl)phenyl]acetamide

C21H22N4O2 — CID 46968973

IUPAC2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[3-(2-pyridin-4-ylethyl)phenyl]acetamide
SMILESCc1cc(C)n(CC(=O)Nc2cccc(CCc3ccncc3)c2)c(=O)n1
InChIInChI=1S/C21H22N4O2/c1-15-12-16(2)25(21(27)23-15)14-20(26)24-19-5-3-4-18(13-19)7-6-17-8-10-22-11-9-17/h3-5,8-13H,6-7,14H2,1-2H3,(H,24,26)
InChIKeyHTKHGZIBIPLDRW-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.68
Rot. Bonds6

About 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[3-(2-pyridin-4-ylethyl)phenyl]acetamide

2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[3-(2-pyridin-4-ylethyl)phenyl]acetamide (PubChem CID 46968973) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[3-(2-pyridin-4-ylethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[3-(2-pyridin-4-ylethyl)phenyl]acetamide
PubChem CID46968973
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[3-(2-pyridin-4-ylethyl)phenyl]acetamide
SMILESCc1cc(C)n(CC(=O)Nc2cccc(CCc3ccncc3)c2)c(=O)n1
InChIInChI=1S/C21H22N4O2/c1-15-12-16(2)25(21(27)23-15)14-20(26)24-19-5-3-4-18(13-19)7-6-17-8-10-22-11-9-17/h3-5,8-13H,6-7,14H2,1-2H3,(H,24,26)
InChIKeyHTKHGZIBIPLDRW-UHFFFAOYSA-N
XLogP2.68
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-2-[2-(3-ethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 53201894
2-(2-methylindol-1-yl)-N-pyridin-4-ylacetamide
CID 27700402
N-(1,2-diethylbenzimidazol-5-yl)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide
CID 46971884
2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 7746542
1-[2-(furan-2-yl)-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 62016952
N-[3-(2-pyridin-4-ylethyl)phenyl]formamide
CID 168653232
N-(3-bromophenyl)-2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51364728
N-(1,3-benzodioxol-5-yl)-2-[2-(3-ethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 53201891
N-phenyl-2-(2-pyridin-4-ylethylsulfanyl)acetamide
CID 100724139
3-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]benzoic acid
CID 108794871
4,6-dimethyl-1-[2-oxo-2-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethyl]pyrimidin-2-one
CID 70711285
2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-(3-ethylphenyl)acetamide
CID 7558754

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[3-(2-pyridin-4-ylethyl)phenyl]acetamide?
The IUPAC name of 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[3-(2-pyridin-4-ylethyl)phenyl]acetamide (CID 46968973) is 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[3-(2-pyridin-4-ylethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[3-(2-pyridin-4-ylethyl)phenyl]acetamide?
The canonical SMILES for 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[3-(2-pyridin-4-ylethyl)phenyl]acetamide is Cc1cc(C)n(CC(=O)Nc2cccc(CCc3ccncc3)c2)c(=O)n1.
What is the InChIKey of 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[3-(2-pyridin-4-ylethyl)phenyl]acetamide?
The InChIKey is HTKHGZIBIPLDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-15-12-16(2)25(21(27)23-15)14-20(26)24-19-5-3-4-18(13-19)7-6-17-8-10-22-11-9-17/h3-5,8-13H,6-7,14H2,1-2H3,(H,24,26).
What are the key properties of 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[3-(2-pyridin-4-ylethyl)phenyl]acetamide?
2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[3-(2-pyridin-4-ylethyl)phenyl]acetamide has a molecular weight of 362.43 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[3-(2-pyridin-4-ylethyl)phenyl]acetamide is sourced from PubChem (CID 46968973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).