N-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methyl-2-pyridin-4-ylpropanamide

C21H22ClN3O3 — CID 176846930

IUPACN-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methyl-2-pyridin-4-ylpropanamide
SMILESCC(C)(C(=O)NCc1ccc(C2CCC(=O)NC2=O)c(Cl)c1)c1ccncc1
InChIInChI=1S/C21H22ClN3O3/c1-21(2,14-7-9-23-10-8-14)20(28)24-12-13-3-4-15(17(22)11-13)16-5-6-18(26)25-19(16)27/h3-4,7-11,16H,5-6,12H2,1-2H3,(H,24,28)(H,25,26,27)
InChIKeyCDQPFSQKMORWBU-UHFFFAOYSA-N
MW399.88 g/mol
LogP2.85
Rot. Bonds5

About N-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methyl-2-pyridin-4-ylpropanamide

N-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methyl-2-pyridin-4-ylpropanamide (PubChem CID 176846930) has the molecular formula C21H22ClN3O3 and a molecular weight of 399.88 g/mol. Its IUPAC name is N-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methyl-2-pyridin-4-ylpropanamide.

Molecular Properties

Compound NameN-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methyl-2-pyridin-4-ylpropanamide
PubChem CID176846930
Molecular FormulaC21H22ClN3O3
Molecular Weight399.88 g/mol
Exact Mass399.13
IUPAC NameN-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methyl-2-pyridin-4-ylpropanamide
SMILESCC(C)(C(=O)NCc1ccc(C2CCC(=O)NC2=O)c(Cl)c1)c1ccncc1
InChIInChI=1S/C21H22ClN3O3/c1-21(2,14-7-9-23-10-8-14)20(28)24-12-13-3-4-15(17(22)11-13)16-5-6-18(26)25-19(16)27/h3-4,7-11,16H,5-6,12H2,1-2H3,(H,24,28)(H,25,26,27)
InChIKeyCDQPFSQKMORWBU-UHFFFAOYSA-N
XLogP2.85
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 52.85
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-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methyl-2-(6-methyl-3-pyridinyl)propanamide
CID 176846793
N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-(1H-imidazol-5-yl)-2-methylpropanamide
CID 176846824
N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methyl-2-(1,2-oxazol-3-yl)propanamide
CID 176846823
N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-(1-ethyl-2-oxo-4-pyridinyl)-2-methylpropanamide
CID 176846777
N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-(5-fluoropyrimidin-2-yl)-2-methylpropanamide
CID 176846759
2-(4-cyano-2-pyridinyl)-N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methylpropanamide
CID 176846888
N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methyl-2-(5-methyl-1,3-oxazol-4-yl)propanamide
CID 176846835
N-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)-5-fluorophenyl]methyl]-2-(5-ethoxypyrazin-2-yl)-2-methylpropanamide
CID 176846748
1-(3-chloro-4-methylphenyl)-3-[[3-(2,6-dioxopiperidin-3-yl)-2-methylquinolin-7-yl]methyl]urea
CID 164563310
N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2-methyl-2-phenylpropanamide
CID 162670524
4-tert-butyl-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroxy-1,3-dihydroisoindol-5-yl]methyl]benzamide
CID 174631059
(3S)-3-[4-(azetidin-1-yl)-2-chlorophenyl]piperidine-2,6-dione
CID 174105700

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methyl-2-pyridin-4-ylpropanamide?
The IUPAC name of N-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methyl-2-pyridin-4-ylpropanamide (CID 176846930) is N-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methyl-2-pyridin-4-ylpropanamide.
What is the SMILES notation for N-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methyl-2-pyridin-4-ylpropanamide?
The canonical SMILES for N-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methyl-2-pyridin-4-ylpropanamide is CC(C)(C(=O)NCc1ccc(C2CCC(=O)NC2=O)c(Cl)c1)c1ccncc1.
What is the InChIKey of N-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methyl-2-pyridin-4-ylpropanamide?
The InChIKey is CDQPFSQKMORWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O3/c1-21(2,14-7-9-23-10-8-14)20(28)24-12-13-3-4-15(17(22)11-13)16-5-6-18(26)25-19(16)27/h3-4,7-11,16H,5-6,12H2,1-2H3,(H,24,28)(H,25,26,27).
What are the key properties of N-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methyl-2-pyridin-4-ylpropanamide?
N-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methyl-2-pyridin-4-ylpropanamide has a molecular weight of 399.88 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methyl-2-pyridin-4-ylpropanamide is sourced from PubChem (CID 176846930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).