N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-2-(4-methylphenoxy)pyridine-3-carboxamide

C28H34N4O4 — CID 44586161

IUPACN-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-2-(4-methylphenoxy)pyridine-3-carboxamide
SMILESCCOc1ccccc1N1CCN(CC(O)CNC(=O)c2cccnc2Oc2ccc(C)cc2)CC1
InChIInChI=1S/C28H34N4O4/c1-3-35-26-9-5-4-8-25(26)32-17-15-31(16-18-32)20-22(33)19-30-27(34)24-7-6-14-29-28(24)36-23-12-10-21(2)11-13-23/h4-14,22,33H,3,15-20H2,1-2H3,(H,30,34)
InChIKeyQHSLISDOIAFQGA-UHFFFAOYSA-N
MW490.60 g/mol
LogP3.49
Rot. Bonds10

About N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-2-(4-methylphenoxy)pyridine-3-carboxamide

N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-2-(4-methylphenoxy)pyridine-3-carboxamide (PubChem CID 44586161) has the molecular formula C28H34N4O4 and a molecular weight of 490.60 g/mol. Its IUPAC name is N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-2-(4-methylphenoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-2-(4-methylphenoxy)pyridine-3-carboxamide
PubChem CID44586161
Molecular FormulaC28H34N4O4
Molecular Weight490.60 g/mol
Exact Mass490.26
IUPAC NameN-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-2-(4-methylphenoxy)pyridine-3-carboxamide
SMILESCCOc1ccccc1N1CCN(CC(O)CNC(=O)c2cccnc2Oc2ccc(C)cc2)CC1
InChIInChI=1S/C28H34N4O4/c1-3-35-26-9-5-4-8-25(26)32-17-15-31(16-18-32)20-22(33)19-30-27(34)24-7-6-14-29-28(24)36-23-12-10-21(2)11-13-23/h4-14,22,33H,3,15-20H2,1-2H3,(H,30,34)
InChIKeyQHSLISDOIAFQGA-UHFFFAOYSA-N
XLogP3.49
TPSA87.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.60
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-2-(4-methylphenoxy)pyridine-3-carboxamide?
The IUPAC name of N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-2-(4-methylphenoxy)pyridine-3-carboxamide (CID 44586161) is N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-2-(4-methylphenoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-2-(4-methylphenoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-2-(4-methylphenoxy)pyridine-3-carboxamide is CCOc1ccccc1N1CCN(CC(O)CNC(=O)c2cccnc2Oc2ccc(C)cc2)CC1.
What is the InChIKey of N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-2-(4-methylphenoxy)pyridine-3-carboxamide?
The InChIKey is QHSLISDOIAFQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O4/c1-3-35-26-9-5-4-8-25(26)32-17-15-31(16-18-32)20-22(33)19-30-27(34)24-7-6-14-29-28(24)36-23-12-10-21(2)11-13-23/h4-14,22,33H,3,15-20H2,1-2H3,(H,30,34).
What are the key properties of N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-2-(4-methylphenoxy)pyridine-3-carboxamide?
N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-2-(4-methylphenoxy)pyridine-3-carboxamide has a molecular weight of 490.60 g/mol, XLogP of 3.49, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-2-(4-methylphenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 44586161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).