N-[4-[(2,6-dimethyl-4-pyridinyl)methyl]phenyl]-2-(2,6-dioxopiperidin-4-yl)acetamide

C21H23N3O3 — CID 166282551

IUPACN-[4-[(2,6-dimethyl-4-pyridinyl)methyl]phenyl]-2-(2,6-dioxopiperidin-4-yl)acetamide
SMILESCc1cc(Cc2ccc(NC(=O)CC3CC(=O)NC(=O)C3)cc2)cc(C)n1
InChIInChI=1S/C21H23N3O3/c1-13-7-16(8-14(2)22-13)9-15-3-5-18(6-4-15)23-19(25)10-17-11-20(26)24-21(27)12-17/h3-8,17H,9-12H2,1-2H3,(H,23,25)(H,24,26,27)
InChIKeyOTROBWDRYBYOEQ-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.67
Rot. Bonds5

About N-[4-[(2,6-dimethyl-4-pyridinyl)methyl]phenyl]-2-(2,6-dioxopiperidin-4-yl)acetamide

N-[4-[(2,6-dimethyl-4-pyridinyl)methyl]phenyl]-2-(2,6-dioxopiperidin-4-yl)acetamide (PubChem CID 166282551) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[4-[(2,6-dimethyl-4-pyridinyl)methyl]phenyl]-2-(2,6-dioxopiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-[4-[(2,6-dimethyl-4-pyridinyl)methyl]phenyl]-2-(2,6-dioxopiperidin-4-yl)acetamide
PubChem CID166282551
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-[4-[(2,6-dimethyl-4-pyridinyl)methyl]phenyl]-2-(2,6-dioxopiperidin-4-yl)acetamide
SMILESCc1cc(Cc2ccc(NC(=O)CC3CC(=O)NC(=O)C3)cc2)cc(C)n1
InChIInChI=1S/C21H23N3O3/c1-13-7-16(8-14(2)22-13)9-15-3-5-18(6-4-15)23-19(25)10-17-11-20(26)24-21(27)12-17/h3-8,17H,9-12H2,1-2H3,(H,23,25)(H,24,26,27)
InChIKeyOTROBWDRYBYOEQ-UHFFFAOYSA-N
XLogP2.67
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(2,6-dimethyl-4-pyridinyl)methyl]phenyl]-2-(2-oxopiperazin-1-yl)acetamide
CID 167861308
2-cyclopentyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 2428955
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
CID 135399372
2-[3-[2-(4-methylanilino)-2-oxoethyl]cyclohexyl]-N-(4-methylphenyl)acetamide
CID 58862999
2-cyclopentyl-N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]acetamide
CID 46290733
2-(4-bromophenyl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]acetamide
CID 108743598
N-(4-ethylphenyl)-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16867941
2-[4-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]phenyl]-N-methylacetamide
CID 36544300
3-oxo-N-[4-[[4-(3-oxobutanoylamino)phenyl]methyl]phenyl]butanamide
CID 4165564
2-cyclopropyl-N-(4-sulfanylphenyl)acetamide
CID 68600520
2-cyclohexyl-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]acetamide
CID 108756571
2-cyclopropyl-N-(4-methoxyphenyl)acetamide
CID 3008382

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethyl-4-pyridinyl)methyl]phenyl]-2-(2,6-dioxopiperidin-4-yl)acetamide?
The IUPAC name of N-[4-[(2,6-dimethyl-4-pyridinyl)methyl]phenyl]-2-(2,6-dioxopiperidin-4-yl)acetamide (CID 166282551) is N-[4-[(2,6-dimethyl-4-pyridinyl)methyl]phenyl]-2-(2,6-dioxopiperidin-4-yl)acetamide.
What is the SMILES notation for N-[4-[(2,6-dimethyl-4-pyridinyl)methyl]phenyl]-2-(2,6-dioxopiperidin-4-yl)acetamide?
The canonical SMILES for N-[4-[(2,6-dimethyl-4-pyridinyl)methyl]phenyl]-2-(2,6-dioxopiperidin-4-yl)acetamide is Cc1cc(Cc2ccc(NC(=O)CC3CC(=O)NC(=O)C3)cc2)cc(C)n1.
What is the InChIKey of N-[4-[(2,6-dimethyl-4-pyridinyl)methyl]phenyl]-2-(2,6-dioxopiperidin-4-yl)acetamide?
The InChIKey is OTROBWDRYBYOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-13-7-16(8-14(2)22-13)9-15-3-5-18(6-4-15)23-19(25)10-17-11-20(26)24-21(27)12-17/h3-8,17H,9-12H2,1-2H3,(H,23,25)(H,24,26,27).
What are the key properties of N-[4-[(2,6-dimethyl-4-pyridinyl)methyl]phenyl]-2-(2,6-dioxopiperidin-4-yl)acetamide?
N-[4-[(2,6-dimethyl-4-pyridinyl)methyl]phenyl]-2-(2,6-dioxopiperidin-4-yl)acetamide has a molecular weight of 365.43 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-dimethyl-4-pyridinyl)methyl]phenyl]-2-(2,6-dioxopiperidin-4-yl)acetamide is sourced from PubChem (CID 166282551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).