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

C20H28N6O2 — CID 55931420

IUPAC4-acetyl-3-ethyl-5-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1H-pyrrole-2-carboxamide
SMILESCCc1c(C(=O)NCCN2CCN(c3ncccn3)CC2)[nH]c(C)c1C(C)=O
InChIInChI=1S/C20H28N6O2/c1-4-16-17(15(3)27)14(2)24-18(16)19(28)21-8-9-25-10-12-26(13-11-25)20-22-6-5-7-23-20/h5-7,24H,4,8-13H2,1-3H3,(H,21,28)
InChIKeyAYCKTGVTDPEGQN-UHFFFAOYSA-N
MW384.48 g/mol
LogP1.43
Rot. Bonds7

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

4-acetyl-3-ethyl-5-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1H-pyrrole-2-carboxamide (PubChem CID 55931420) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-acetyl-3-ethyl-5-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-3-ethyl-5-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1H-pyrrole-2-carboxamide
PubChem CID55931420
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC Name4-acetyl-3-ethyl-5-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1H-pyrrole-2-carboxamide
SMILESCCc1c(C(=O)NCCN2CCN(c3ncccn3)CC2)[nH]c(C)c1C(C)=O
InChIInChI=1S/C20H28N6O2/c1-4-16-17(15(3)27)14(2)24-18(16)19(28)21-8-9-25-10-12-26(13-11-25)20-22-6-5-7-23-20/h5-7,24H,4,8-13H2,1-3H3,(H,21,28)
InChIKeyAYCKTGVTDPEGQN-UHFFFAOYSA-N
XLogP1.43
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]imidazole-4-carboxamide
CID 118761818
5-methyl-N-[2-oxo-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]ethyl]thiophene-2-carboxamide
CID 55933830
4-acetyl-3-ethyl-5-methyl-N-(1-methylpyrazol-4-yl)-1H-pyrrole-2-carboxamide
CID 47327832
2-amino-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide;trihydrochloride
CID 119947504
3-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 55933192
(2S)-2-amino-4-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pentanamide
CID 119902328
4-acetyl-3-ethyl-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-5-methyl-1H-pyrrole-2-carboxamide
CID 138042586
1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone
CID 8541900
4-acetyl-3,5-dimethyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-1H-pyrrole-2-carboxamide
CID 34246220
1-propan-2-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide
CID 70710374
3-methyl-5-propan-2-yl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,2-oxazole-4-carboxamide
CID 30889571
4-(4-methylpyrazol-1-yl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 55930394

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-3-ethyl-5-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-3-ethyl-5-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1H-pyrrole-2-carboxamide (CID 55931420) is 4-acetyl-3-ethyl-5-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-3-ethyl-5-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-3-ethyl-5-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1H-pyrrole-2-carboxamide is CCc1c(C(=O)NCCN2CCN(c3ncccn3)CC2)[nH]c(C)c1C(C)=O.
What is the InChIKey of 4-acetyl-3-ethyl-5-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is AYCKTGVTDPEGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2/c1-4-16-17(15(3)27)14(2)24-18(16)19(28)21-8-9-25-10-12-26(13-11-25)20-22-6-5-7-23-20/h5-7,24H,4,8-13H2,1-3H3,(H,21,28).
What are the key properties of 4-acetyl-3-ethyl-5-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1H-pyrrole-2-carboxamide?
4-acetyl-3-ethyl-5-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-3-ethyl-5-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 55931420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).