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

C27H32N4O5 — CID 44586178

IUPACN-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-methoxyphenoxy)pyridine-3-carboxamide
SMILESCOc1ccccc1Oc1ncccc1C(=O)NCC(O)CN1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C27H32N4O5/c1-34-23-10-4-3-9-22(23)31-16-14-30(15-17-31)19-20(32)18-29-26(33)21-8-7-13-28-27(21)36-25-12-6-5-11-24(25)35-2/h3-13,20,32H,14-19H2,1-2H3,(H,29,33)
InChIKeyZMTWTVDZCXMHEU-UHFFFAOYSA-N
MW492.58 g/mol
LogP2.80
Rot. Bonds10

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

N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-methoxyphenoxy)pyridine-3-carboxamide (PubChem CID 44586178) 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-(2-methoxyphenoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-methoxyphenoxy)pyridine-3-carboxamide
PubChem CID44586178
Molecular FormulaC27H32N4O5
Molecular Weight492.58 g/mol
Exact Mass492.24
IUPAC NameN-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-methoxyphenoxy)pyridine-3-carboxamide
SMILESCOc1ccccc1Oc1ncccc1C(=O)NCC(O)CN1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C27H32N4O5/c1-34-23-10-4-3-9-22(23)31-16-14-30(15-17-31)19-20(32)18-29-26(33)21-8-7-13-28-27(21)36-25-12-6-5-11-24(25)35-2/h3-13,20,32H,14-19H2,1-2H3,(H,29,33)
InChIKeyZMTWTVDZCXMHEU-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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Related Compounds

N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-phenoxypyridine-3-carboxamide
CID 9870203
N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-(4-methoxyphenoxy)pyridine-3-carboxamide
CID 9958323
N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-(4-methylphenoxy)pyridine-3-carboxamide
CID 20646995
Nicainoprol
CID 71147
4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide
CID 10524875
(S)-N-{2-[4-(2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-[1,4]diazepan-1-yl]-ethyl}-2-phenoxy-nicotinamide
CID 25110718
2-(3-cyanophenoxy)-N-(2-(4-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-1,4-diazepan-1-yl)ethyl)nicotinamide
CID 44579187
2-butoxy-N-(2-(4-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-1,4-diazepan-1-yl)ethyl)nicotinamide
CID 44579229
2-[3-(dimethylamino)phenoxy]-N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridine-3-carboxamide
CID 44586087
N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 44586088
N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-2-phenoxypyridine-3-carboxamide
CID 44586098
N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 44586100

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-methoxyphenoxy)pyridine-3-carboxamide?
The IUPAC name of N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-methoxyphenoxy)pyridine-3-carboxamide (CID 44586178) is N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-methoxyphenoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-methoxyphenoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-methoxyphenoxy)pyridine-3-carboxamide is COc1ccccc1Oc1ncccc1C(=O)NCC(O)CN1CCN(c2ccccc2OC)CC1.
What is the InChIKey of N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-methoxyphenoxy)pyridine-3-carboxamide?
The InChIKey is ZMTWTVDZCXMHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O5/c1-34-23-10-4-3-9-22(23)31-16-14-30(15-17-31)19-20(32)18-29-26(33)21-8-7-13-28-27(21)36-25-12-6-5-11-24(25)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-(2-methoxyphenoxy)pyridine-3-carboxamide?
N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-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-(2-methoxyphenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 44586178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).