4-acetyl-N-[4-(cyclopropylcarbamoyl)phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide

C19H21N3O3 — CID 51299789

IUPAC4-acetyl-N-[4-(cyclopropylcarbamoyl)phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)c1C
InChIInChI=1S/C19H21N3O3/c1-10-16(12(3)23)11(2)20-17(10)19(25)22-14-6-4-13(5-7-14)18(24)21-15-8-9-15/h4-7,15,20H,8-9H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyBRTFETNCZPZQQC-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.98
Rot. Bonds5

About 4-acetyl-N-[4-(cyclopropylcarbamoyl)phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide

4-acetyl-N-[4-(cyclopropylcarbamoyl)phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide (PubChem CID 51299789) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-acetyl-N-[4-(cyclopropylcarbamoyl)phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[4-(cyclopropylcarbamoyl)phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
PubChem CID51299789
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name4-acetyl-N-[4-(cyclopropylcarbamoyl)phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)c1C
InChIInChI=1S/C19H21N3O3/c1-10-16(12(3)23)11(2)20-17(10)19(25)22-14-6-4-13(5-7-14)18(24)21-15-8-9-15/h4-7,15,20H,8-9H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyBRTFETNCZPZQQC-UHFFFAOYSA-N
XLogP2.98
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(4-acetylphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide
CID 109043399
methyl 5-[(4-acetylphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 8934063
4-acetyl-3,5-dimethyl-N-[4-(methylcarbamoylamino)phenyl]-1H-pyrrole-2-carboxamide
CID 46603718
4-acetyl-N-[4-[(2S)-butan-2-yl]phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 7951887
4-acetyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 3239225
1-N-cyclopropyl-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109043370
5-acetyl-N-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 18132739
4-acetamido-N-(4-hydroxycyclohexyl)benzamide
CID 43389222
4-acetyl-N-(3,4-dimethoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 2519212
4-acetyl-N-[4-(diethylsulfamoyl)phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 9415910
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568
4-acetamido-N-cyclooctylbenzamide
CID 2990044

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[4-(cyclopropylcarbamoyl)phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-[4-(cyclopropylcarbamoyl)phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide (CID 51299789) is 4-acetyl-N-[4-(cyclopropylcarbamoyl)phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[4-(cyclopropylcarbamoyl)phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[4-(cyclopropylcarbamoyl)phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide is CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)c1C.
What is the InChIKey of 4-acetyl-N-[4-(cyclopropylcarbamoyl)phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The InChIKey is BRTFETNCZPZQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-10-16(12(3)23)11(2)20-17(10)19(25)22-14-6-4-13(5-7-14)18(24)21-15-8-9-15/h4-7,15,20H,8-9H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of 4-acetyl-N-[4-(cyclopropylcarbamoyl)phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
4-acetyl-N-[4-(cyclopropylcarbamoyl)phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.98, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[4-(cyclopropylcarbamoyl)phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 51299789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).