4-acetyl-3-ethyl-5-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1H-pyrrole-2-carboxamide

C19H32N4O2 — CID 75494133

IUPAC4-acetyl-3-ethyl-5-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1H-pyrrole-2-carboxamide
SMILESCCc1c(C(=O)NCC(C)CN2CCN(C)CC2)[nH]c(C)c1C(C)=O
InChIInChI=1S/C19H32N4O2/c1-6-16-17(15(4)24)14(3)21-18(16)19(25)20-11-13(2)12-23-9-7-22(5)8-10-23/h13,21H,6-12H2,1-5H3,(H,20,25)
InChIKeyLPXWKUZUMRKJDH-UHFFFAOYSA-N
MW348.49 g/mol
LogP1.70
Rot. Bonds7

About 4-acetyl-3-ethyl-5-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1H-pyrrole-2-carboxamide

4-acetyl-3-ethyl-5-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1H-pyrrole-2-carboxamide (PubChem CID 75494133) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 4-acetyl-3-ethyl-5-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-3-ethyl-5-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1H-pyrrole-2-carboxamide
PubChem CID75494133
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name4-acetyl-3-ethyl-5-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1H-pyrrole-2-carboxamide
SMILESCCc1c(C(=O)NCC(C)CN2CCN(C)CC2)[nH]c(C)c1C(C)=O
InChIInChI=1S/C19H32N4O2/c1-6-16-17(15(4)24)14(3)21-18(16)19(25)20-11-13(2)12-23-9-7-22(5)8-10-23/h13,21H,6-12H2,1-5H3,(H,20,25)
InChIKeyLPXWKUZUMRKJDH-UHFFFAOYSA-N
XLogP1.70
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-3-ethyl-5-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-3-ethyl-5-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1H-pyrrole-2-carboxamide (CID 75494133) is 4-acetyl-3-ethyl-5-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-3-ethyl-5-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-3-ethyl-5-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1H-pyrrole-2-carboxamide is CCc1c(C(=O)NCC(C)CN2CCN(C)CC2)[nH]c(C)c1C(C)=O.
What is the InChIKey of 4-acetyl-3-ethyl-5-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1H-pyrrole-2-carboxamide?
The InChIKey is LPXWKUZUMRKJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-6-16-17(15(4)24)14(3)21-18(16)19(25)20-11-13(2)12-23-9-7-22(5)8-10-23/h13,21H,6-12H2,1-5H3,(H,20,25).
What are the key properties of 4-acetyl-3-ethyl-5-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1H-pyrrole-2-carboxamide?
4-acetyl-3-ethyl-5-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1H-pyrrole-2-carboxamide has a molecular weight of 348.49 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-3-ethyl-5-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 75494133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).