N-[3-hydroxy-4-[4-(2-hydroxyphenyl)piperazin-1-yl]butyl]-4-pyridin-2-ylbenzamide

C26H30N4O3 — CID 71047294

IUPACN-[3-hydroxy-4-[4-(2-hydroxyphenyl)piperazin-1-yl]butyl]-4-pyridin-2-ylbenzamide
SMILESO=C(NCCC(O)CN1CCN(c2ccccc2O)CC1)c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C26H30N4O3/c31-22(19-29-15-17-30(18-16-29)24-6-1-2-7-25(24)32)12-14-28-26(33)21-10-8-20(9-11-21)23-5-3-4-13-27-23/h1-11,13,22,31-32H,12,14-19H2,(H,28,33)
InChIKeyOJORGLBZUNPDIT-UHFFFAOYSA-N
MW446.55 g/mol
LogP2.76
Rot. Bonds8

About N-[3-hydroxy-4-[4-(2-hydroxyphenyl)piperazin-1-yl]butyl]-4-pyridin-2-ylbenzamide

N-[3-hydroxy-4-[4-(2-hydroxyphenyl)piperazin-1-yl]butyl]-4-pyridin-2-ylbenzamide (PubChem CID 71047294) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-[3-hydroxy-4-[4-(2-hydroxyphenyl)piperazin-1-yl]butyl]-4-pyridin-2-ylbenzamide.

Molecular Properties

Compound NameN-[3-hydroxy-4-[4-(2-hydroxyphenyl)piperazin-1-yl]butyl]-4-pyridin-2-ylbenzamide
PubChem CID71047294
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC NameN-[3-hydroxy-4-[4-(2-hydroxyphenyl)piperazin-1-yl]butyl]-4-pyridin-2-ylbenzamide
SMILESO=C(NCCC(O)CN1CCN(c2ccccc2O)CC1)c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C26H30N4O3/c31-22(19-29-15-17-30(18-16-29)24-6-1-2-7-25(24)32)12-14-28-26(33)21-10-8-20(9-11-21)23-5-3-4-13-27-23/h1-11,13,22,31-32H,12,14-19H2,(H,28,33)
InChIKeyOJORGLBZUNPDIT-UHFFFAOYSA-N
XLogP2.76
TPSA88.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-4-[4-(2-hydroxyphenyl)piperazin-1-yl]butyl]-4-pyridin-2-ylbenzamide?
The IUPAC name of N-[3-hydroxy-4-[4-(2-hydroxyphenyl)piperazin-1-yl]butyl]-4-pyridin-2-ylbenzamide (CID 71047294) is N-[3-hydroxy-4-[4-(2-hydroxyphenyl)piperazin-1-yl]butyl]-4-pyridin-2-ylbenzamide.
What is the SMILES notation for N-[3-hydroxy-4-[4-(2-hydroxyphenyl)piperazin-1-yl]butyl]-4-pyridin-2-ylbenzamide?
The canonical SMILES for N-[3-hydroxy-4-[4-(2-hydroxyphenyl)piperazin-1-yl]butyl]-4-pyridin-2-ylbenzamide is O=C(NCCC(O)CN1CCN(c2ccccc2O)CC1)c1ccc(-c2ccccn2)cc1.
What is the InChIKey of N-[3-hydroxy-4-[4-(2-hydroxyphenyl)piperazin-1-yl]butyl]-4-pyridin-2-ylbenzamide?
The InChIKey is OJORGLBZUNPDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3/c31-22(19-29-15-17-30(18-16-29)24-6-1-2-7-25(24)32)12-14-28-26(33)21-10-8-20(9-11-21)23-5-3-4-13-27-23/h1-11,13,22,31-32H,12,14-19H2,(H,28,33).
What are the key properties of N-[3-hydroxy-4-[4-(2-hydroxyphenyl)piperazin-1-yl]butyl]-4-pyridin-2-ylbenzamide?
N-[3-hydroxy-4-[4-(2-hydroxyphenyl)piperazin-1-yl]butyl]-4-pyridin-2-ylbenzamide has a molecular weight of 446.55 g/mol, XLogP of 2.76, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-4-[4-(2-hydroxyphenyl)piperazin-1-yl]butyl]-4-pyridin-2-ylbenzamide is sourced from PubChem (CID 71047294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).