N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(4-methoxyphenoxy)pyridine-3-carboxamide

C27H32N4O5 — CID 44586129

IUPACN-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(4-methoxyphenoxy)pyridine-3-carboxamide
SMILESCOc1ccc(Oc2ncccc2C(=O)NCC(O)CN2CCN(c3ccccc3OC)CC2)cc1
InChIInChI=1S/C27H32N4O5/c1-34-21-9-11-22(12-10-21)36-27-23(6-5-13-28-27)26(33)29-18-20(32)19-30-14-16-31(17-15-30)24-7-3-4-8-25(24)35-2/h3-13,20,32H,14-19H2,1-2H3,(H,29,33)
InChIKeyUCQLKMPQDPBBLM-UHFFFAOYSA-N
MW492.58 g/mol
LogP2.80
Rot. Bonds10

About N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(4-methoxyphenoxy)pyridine-3-carboxamide

N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(4-methoxyphenoxy)pyridine-3-carboxamide (PubChem CID 44586129) has the molecular formula C27H32N4O5 and a molecular weight of 492.58 g/mol. Its IUPAC name is N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(4-methoxyphenoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(4-methoxyphenoxy)pyridine-3-carboxamide
PubChem CID44586129
Molecular FormulaC27H32N4O5
Molecular Weight492.58 g/mol
Exact Mass492.24
IUPAC NameN-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(4-methoxyphenoxy)pyridine-3-carboxamide
SMILESCOc1ccc(Oc2ncccc2C(=O)NCC(O)CN2CCN(c3ccccc3OC)CC2)cc1
InChIInChI=1S/C27H32N4O5/c1-34-21-9-11-22(12-10-21)36-27-23(6-5-13-28-27)26(33)29-18-20(32)19-30-14-16-31(17-15-30)24-7-3-4-8-25(24)35-2/h3-13,20,32H,14-19H2,1-2H3,(H,29,33)
InChIKeyUCQLKMPQDPBBLM-UHFFFAOYSA-N
XLogP2.80
TPSA96.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(4-methoxyphenoxy)pyridine-3-carboxamide?
The IUPAC name of N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(4-methoxyphenoxy)pyridine-3-carboxamide (CID 44586129) is N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(4-methoxyphenoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(4-methoxyphenoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(4-methoxyphenoxy)pyridine-3-carboxamide is COc1ccc(Oc2ncccc2C(=O)NCC(O)CN2CCN(c3ccccc3OC)CC2)cc1.
What is the InChIKey of N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(4-methoxyphenoxy)pyridine-3-carboxamide?
The InChIKey is UCQLKMPQDPBBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O5/c1-34-21-9-11-22(12-10-21)36-27-23(6-5-13-28-27)26(33)29-18-20(32)19-30-14-16-31(17-15-30)24-7-3-4-8-25(24)35-2/h3-13,20,32H,14-19H2,1-2H3,(H,29,33).
What are the key properties of N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(4-methoxyphenoxy)pyridine-3-carboxamide?
N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(4-methoxyphenoxy)pyridine-3-carboxamide has a molecular weight of 492.58 g/mol, XLogP of 2.80, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(4-methoxyphenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 44586129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).