4-acetyl-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide

C21H23N3O4 — CID 60511680

IUPAC4-acetyl-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
SMILESCCc1c(C(=O)Nc2ccc(N3C(=O)CCCC3=O)cc2)[nH]c(C)c1C(C)=O
InChIInChI=1S/C21H23N3O4/c1-4-16-19(13(3)25)12(2)22-20(16)21(28)23-14-8-10-15(11-9-14)24-17(26)6-5-7-18(24)27/h8-11,22H,4-7H2,1-3H3,(H,23,28)
InChIKeyVAHSCAWLMOHINM-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.38
Rot. Bonds5

About 4-acetyl-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide

4-acetyl-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide (PubChem CID 60511680) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 4-acetyl-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
PubChem CID60511680
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name4-acetyl-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
SMILESCCc1c(C(=O)Nc2ccc(N3C(=O)CCCC3=O)cc2)[nH]c(C)c1C(C)=O
InChIInChI=1S/C21H23N3O4/c1-4-16-19(13(3)25)12(2)22-20(16)21(28)23-14-8-10-15(11-9-14)24-17(26)6-5-7-18(24)27/h8-11,22H,4-7H2,1-3H3,(H,23,28)
InChIKeyVAHSCAWLMOHINM-UHFFFAOYSA-N
XLogP3.38
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.38
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

4-acetyl-3-ethyl-5-methyl-N-pyridin-4-yl-1H-pyrrole-2-carboxamide
CID 47266692
4-acetyl-3-ethyl-5-methyl-N-(1-methylpyrazol-4-yl)-1H-pyrrole-2-carboxamide
CID 47327832
N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 51115082
4-acetyl-N-[2,6-di(propan-2-yl)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
CID 60527517
ethyl 4-[(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)amino]benzoate
CID 47061548
methyl 2-methyl-5-[(4-piperidin-1-ylphenyl)carbamoyl]-4-propyl-1H-pyrrole-3-carboxylate
CID 55834868
4-acetyl-N-cycloheptyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
CID 15997837
4-acetyl-3-ethyl-5-methyl-N-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-2-carboxamide
CID 47278434
4-acetyl-3-ethyl-5-methyl-N-(1,3-thiazol-2-yl)-1H-pyrrole-2-carboxamide
CID 47265101
4-acetyl-N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
CID 55875784
4-acetyl-3-ethyl-N,5-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-1H-pyrrole-2-carboxamide
CID 55834945
ethyl 1-[3-[(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)amino]phenyl]pyrazole-3-carboxylate
CID 55873971

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide (CID 60511680) is 4-acetyl-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide is CCc1c(C(=O)Nc2ccc(N3C(=O)CCCC3=O)cc2)[nH]c(C)c1C(C)=O.
What is the InChIKey of 4-acetyl-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is VAHSCAWLMOHINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-4-16-19(13(3)25)12(2)22-20(16)21(28)23-14-8-10-15(11-9-14)24-17(26)6-5-7-18(24)27/h8-11,22H,4-7H2,1-3H3,(H,23,28).
What are the key properties of 4-acetyl-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide?
4-acetyl-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 381.43 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 60511680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).