2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(2-pyrrol-1-ylphenyl)acetamide;hydrochloride

C20H23ClN6O — CID 6603604

IUPAC2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(2-pyrrol-1-ylphenyl)acetamide;hydrochloride
SMILESCl.O=C(CN1CCN(c2ncccn2)CC1)Nc1ccccc1-n1cccc1
InChIInChI=1S/C20H22N6O.ClH/c27-19(23-17-6-1-2-7-18(17)25-10-3-4-11-25)16-24-12-14-26(15-13-24)20-21-8-5-9-22-20;/h1-11H,12-16H2,(H,23,27);1H
InChIKeyPOZAPMSSVQUMDM-UHFFFAOYSA-N
MW398.90 g/mol
LogP2.45
Rot. Bonds5

About 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(2-pyrrol-1-ylphenyl)acetamide;hydrochloride

2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(2-pyrrol-1-ylphenyl)acetamide;hydrochloride (PubChem CID 6603604) has the molecular formula C20H23ClN6O and a molecular weight of 398.90 g/mol. Its IUPAC name is 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(2-pyrrol-1-ylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(2-pyrrol-1-ylphenyl)acetamide;hydrochloride
PubChem CID6603604
Molecular FormulaC20H23ClN6O
Molecular Weight398.90 g/mol
Exact Mass398.16
IUPAC Name2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(2-pyrrol-1-ylphenyl)acetamide;hydrochloride
SMILESCl.O=C(CN1CCN(c2ncccn2)CC1)Nc1ccccc1-n1cccc1
InChIInChI=1S/C20H22N6O.ClH/c27-19(23-17-6-1-2-7-18(17)25-10-3-4-11-25)16-24-12-14-26(15-13-24)20-21-8-5-9-22-20;/h1-11H,12-16H2,(H,23,27);1H
InChIKeyPOZAPMSSVQUMDM-UHFFFAOYSA-N
XLogP2.45
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.90
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(2-pyrrol-1-ylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(2-pyrrol-1-ylphenyl)acetamide;hydrochloride (CID 6603604) is 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(2-pyrrol-1-ylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(2-pyrrol-1-ylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(2-pyrrol-1-ylphenyl)acetamide;hydrochloride is Cl.O=C(CN1CCN(c2ncccn2)CC1)Nc1ccccc1-n1cccc1.
What is the InChIKey of 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(2-pyrrol-1-ylphenyl)acetamide;hydrochloride?
The InChIKey is POZAPMSSVQUMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O.ClH/c27-19(23-17-6-1-2-7-18(17)25-10-3-4-11-25)16-24-12-14-26(15-13-24)20-21-8-5-9-22-20;/h1-11H,12-16H2,(H,23,27);1H.
What are the key properties of 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(2-pyrrol-1-ylphenyl)acetamide;hydrochloride?
2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(2-pyrrol-1-ylphenyl)acetamide;hydrochloride has a molecular weight of 398.90 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(2-pyrrol-1-ylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 6603604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).