4-acetyl-3,5-dimethyl-N-(2-morpholin-4-ylphenyl)-1H-pyrrole-2-carboxamide

C19H23N3O3 — CID 2084999

IUPAC4-acetyl-3,5-dimethyl-N-(2-morpholin-4-ylphenyl)-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)Nc2ccccc2N2CCOCC2)c1C
InChIInChI=1S/C19H23N3O3/c1-12-17(14(3)23)13(2)20-18(12)19(24)21-15-6-4-5-7-16(15)22-8-10-25-11-9-22/h4-7,20H,8-11H2,1-3H3,(H,21,24)
InChIKeyFECDVKPCKCGCGT-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.92
Rot. Bonds4

About 4-acetyl-3,5-dimethyl-N-(2-morpholin-4-ylphenyl)-1H-pyrrole-2-carboxamide

4-acetyl-3,5-dimethyl-N-(2-morpholin-4-ylphenyl)-1H-pyrrole-2-carboxamide (PubChem CID 2084999) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-acetyl-3,5-dimethyl-N-(2-morpholin-4-ylphenyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-3,5-dimethyl-N-(2-morpholin-4-ylphenyl)-1H-pyrrole-2-carboxamide
PubChem CID2084999
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name4-acetyl-3,5-dimethyl-N-(2-morpholin-4-ylphenyl)-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)Nc2ccccc2N2CCOCC2)c1C
InChIInChI=1S/C19H23N3O3/c1-12-17(14(3)23)13(2)20-18(12)19(24)21-15-6-4-5-7-16(15)22-8-10-25-11-9-22/h4-7,20H,8-11H2,1-3H3,(H,21,24)
InChIKeyFECDVKPCKCGCGT-UHFFFAOYSA-N
XLogP2.92
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrrole-2-carboxamide, 4-acetyl-N-benzyl-3,5-dimethyl-
CID 211019
4-acetyl-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 4019569
4-Acetyl-3-Ethyl-N-[4-Fluoro-3-(Morpholin-4-Ylsulfonyl)phenyl]-5-Methyl-1h-Pyrrole-2-Carboxamide
CID 55883830
4-acetyl-3,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 866986
4-acetyl-N-(2,4-difluorophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 866991
4-acetyl-N-(2,3-dimethylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 866992
4-acetyl-N-(4-ethylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 866993
4-acetyl-N-(4-butan-2-ylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 4334620
4-acetyl-3-ethyl-5-methyl-N-[2-(3-methylphenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 20858607
4-acetyl-3,5-dimethyl-N-(3-morpholin-4-ylsulfonylphenyl)-1H-pyrrole-2-carboxamide
CID 4374325
4-[2-(diethylamino)-2-oxo-acetyl]-N-(3,4-difluorophenyl)-1,3,5-trimethyl-pyrrole-2-carboxamide
CID 130408595
N-(3,4-difluorophenyl)-1,3,5-trimethyl-4-[2-(4-methylpiperazin-1-yl)-2-oxo-acetyl]pyrrole-2-carboxamide
CID 130408700

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-3,5-dimethyl-N-(2-morpholin-4-ylphenyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-3,5-dimethyl-N-(2-morpholin-4-ylphenyl)-1H-pyrrole-2-carboxamide (CID 2084999) is 4-acetyl-3,5-dimethyl-N-(2-morpholin-4-ylphenyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-3,5-dimethyl-N-(2-morpholin-4-ylphenyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-3,5-dimethyl-N-(2-morpholin-4-ylphenyl)-1H-pyrrole-2-carboxamide is CC(=O)c1c(C)[nH]c(C(=O)Nc2ccccc2N2CCOCC2)c1C.
What is the InChIKey of 4-acetyl-3,5-dimethyl-N-(2-morpholin-4-ylphenyl)-1H-pyrrole-2-carboxamide?
The InChIKey is FECDVKPCKCGCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-12-17(14(3)23)13(2)20-18(12)19(24)21-15-6-4-5-7-16(15)22-8-10-25-11-9-22/h4-7,20H,8-11H2,1-3H3,(H,21,24).
What are the key properties of 4-acetyl-3,5-dimethyl-N-(2-morpholin-4-ylphenyl)-1H-pyrrole-2-carboxamide?
4-acetyl-3,5-dimethyl-N-(2-morpholin-4-ylphenyl)-1H-pyrrole-2-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-3,5-dimethyl-N-(2-morpholin-4-ylphenyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 2084999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).