N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-pyrrole-2-carboxamide

C18H24N4O2 — CID 71993666

IUPACN-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-pyrrole-2-carboxamide
SMILESCN1CCN(CCOc2ccc(NC(=O)c3ccc[nH]3)cc2)CC1
InChIInChI=1S/C18H24N4O2/c1-21-9-11-22(12-10-21)13-14-24-16-6-4-15(5-7-16)20-18(23)17-3-2-8-19-17/h2-8,19H,9-14H2,1H3,(H,20,23)
InChIKeyPPEIVRJSTXCHFA-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.89
Rot. Bonds6

About N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-pyrrole-2-carboxamide

N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-pyrrole-2-carboxamide (PubChem CID 71993666) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-pyrrole-2-carboxamide
PubChem CID71993666
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-pyrrole-2-carboxamide
SMILESCN1CCN(CCOc2ccc(NC(=O)c3ccc[nH]3)cc2)CC1
InChIInChI=1S/C18H24N4O2/c1-21-9-11-22(12-10-21)13-14-24-16-6-4-15(5-7-16)20-18(23)17-3-2-8-19-17/h2-8,19H,9-14H2,1H3,(H,20,23)
InChIKeyPPEIVRJSTXCHFA-UHFFFAOYSA-N
XLogP1.89
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-pyrrole-2-carboxamide (CID 71993666) is N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-pyrrole-2-carboxamide is CN1CCN(CCOc2ccc(NC(=O)c3ccc[nH]3)cc2)CC1.
What is the InChIKey of N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-pyrrole-2-carboxamide?
The InChIKey is PPEIVRJSTXCHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-21-9-11-22(12-10-21)13-14-24-16-6-4-15(5-7-16)20-18(23)17-3-2-8-19-17/h2-8,19H,9-14H2,1H3,(H,20,23).
What are the key properties of N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-pyrrole-2-carboxamide?
N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-pyrrole-2-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 71993666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).