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

C28H34N4O5 — CID 44586183

IUPACN-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-2-(4-methoxyphenoxy)pyridine-3-carboxamide
SMILESCCOc1ccccc1N1CCN(CC(O)CNC(=O)c2cccnc2Oc2ccc(OC)cc2)CC1
InChIInChI=1S/C28H34N4O5/c1-3-36-26-9-5-4-8-25(26)32-17-15-31(16-18-32)20-21(33)19-30-27(34)24-7-6-14-29-28(24)37-23-12-10-22(35-2)11-13-23/h4-14,21,33H,3,15-20H2,1-2H3,(H,30,34)
InChIKeyUFAFYYRSIXKQEZ-UHFFFAOYSA-N
MW506.60 g/mol
LogP3.19
Rot. Bonds11

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

N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-2-(4-methoxyphenoxy)pyridine-3-carboxamide (PubChem CID 44586183) has the molecular formula C28H34N4O5 and a molecular weight of 506.60 g/mol. Its IUPAC name is N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-2-(4-methoxyphenoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-2-(4-methoxyphenoxy)pyridine-3-carboxamide
PubChem CID44586183
Molecular FormulaC28H34N4O5
Molecular Weight506.60 g/mol
Exact Mass506.25
IUPAC NameN-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-2-(4-methoxyphenoxy)pyridine-3-carboxamide
SMILESCCOc1ccccc1N1CCN(CC(O)CNC(=O)c2cccnc2Oc2ccc(OC)cc2)CC1
InChIInChI=1S/C28H34N4O5/c1-3-36-26-9-5-4-8-25(26)32-17-15-31(16-18-32)20-21(33)19-30-27(34)24-7-6-14-29-28(24)37-23-12-10-22(35-2)11-13-23/h4-14,21,33H,3,15-20H2,1-2H3,(H,30,34)
InChIKeyUFAFYYRSIXKQEZ-UHFFFAOYSA-N
XLogP3.19
TPSA96.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.60
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(2R)-2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-(4-methylphenoxy)pyridine-3-carboxamide
CID 101064384
N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 44586135
N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-methylsulfanylpyridine-3-carboxamide
CID 15523797
N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 44586100
[4-(2-ethoxyphenyl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 134062153
2-[3-(dimethylamino)anilino]-N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyridine-3-carboxamide
CID 44586119
2-ethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 13318490
N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-6-methoxyquinoline-3-carboxamide
CID 122183782
2-ethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 7494427
N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-7-carboxamide
CID 122183783
1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenoxy)propan-2-ol;hydrochloride
CID 45261253
5-bromo-N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indazole-3-carboxamide
CID 141363452

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-2-(4-methoxyphenoxy)pyridine-3-carboxamide?
The IUPAC name of N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-2-(4-methoxyphenoxy)pyridine-3-carboxamide (CID 44586183) is N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-2-(4-methoxyphenoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-2-(4-methoxyphenoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-2-(4-methoxyphenoxy)pyridine-3-carboxamide is CCOc1ccccc1N1CCN(CC(O)CNC(=O)c2cccnc2Oc2ccc(OC)cc2)CC1.
What is the InChIKey of N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-2-(4-methoxyphenoxy)pyridine-3-carboxamide?
The InChIKey is UFAFYYRSIXKQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O5/c1-3-36-26-9-5-4-8-25(26)32-17-15-31(16-18-32)20-21(33)19-30-27(34)24-7-6-14-29-28(24)37-23-12-10-22(35-2)11-13-23/h4-14,21,33H,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-methoxyphenoxy)pyridine-3-carboxamide?
N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-2-(4-methoxyphenoxy)pyridine-3-carboxamide has a molecular weight of 506.60 g/mol, XLogP of 3.19, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-2-(4-methoxyphenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 44586183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).