5-acetyl-N,2,4-trimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1H-pyrrole-3-carboxamide

C15H20N4O2 — CID 131905709

IUPAC5-acetyl-N,2,4-trimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1H-pyrrole-3-carboxamide
SMILESCC(=O)c1[nH]c(C)c(C(=O)N(C)Cc2ncc(C)[nH]2)c1C
InChIInChI=1S/C15H20N4O2/c1-8-6-16-12(17-8)7-19(5)15(21)13-9(2)14(11(4)20)18-10(13)3/h6,18H,7H2,1-5H3,(H,16,17)
InChIKeyBQYBOOOVDXHHIL-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.14
Rot. Bonds4

About 5-acetyl-N,2,4-trimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1H-pyrrole-3-carboxamide

5-acetyl-N,2,4-trimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1H-pyrrole-3-carboxamide (PubChem CID 131905709) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-acetyl-N,2,4-trimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-acetyl-N,2,4-trimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1H-pyrrole-3-carboxamide
PubChem CID131905709
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name5-acetyl-N,2,4-trimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1H-pyrrole-3-carboxamide
SMILESCC(=O)c1[nH]c(C)c(C(=O)N(C)Cc2ncc(C)[nH]2)c1C
InChIInChI=1S/C15H20N4O2/c1-8-6-16-12(17-8)7-19(5)15(21)13-9(2)14(11(4)20)18-10(13)3/h6,18H,7H2,1-5H3,(H,16,17)
InChIKeyBQYBOOOVDXHHIL-UHFFFAOYSA-N
XLogP2.14
TPSA81.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-acetyl-N,2,4-trimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1H-pyrrole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N,2,4-trimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-acetyl-N,2,4-trimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1H-pyrrole-3-carboxamide (CID 131905709) is 5-acetyl-N,2,4-trimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-acetyl-N,2,4-trimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-acetyl-N,2,4-trimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1H-pyrrole-3-carboxamide is CC(=O)c1[nH]c(C)c(C(=O)N(C)Cc2ncc(C)[nH]2)c1C.
What is the InChIKey of 5-acetyl-N,2,4-trimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1H-pyrrole-3-carboxamide?
The InChIKey is BQYBOOOVDXHHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-8-6-16-12(17-8)7-19(5)15(21)13-9(2)14(11(4)20)18-10(13)3/h6,18H,7H2,1-5H3,(H,16,17).
What are the key properties of 5-acetyl-N,2,4-trimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1H-pyrrole-3-carboxamide?
5-acetyl-N,2,4-trimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1H-pyrrole-3-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N,2,4-trimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 131905709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).