N-[4-[4-[2-(thiophen-2-ylmethoxy)phenyl]piperazin-1-yl]butyl]pyridine-3-carboxamide

C25H30N4O2S — CID 139793526

IUPACN-[4-[4-[2-(thiophen-2-ylmethoxy)phenyl]piperazin-1-yl]butyl]pyridine-3-carboxamide
SMILESO=C(NCCCCN1CCN(c2ccccc2OCc2cccs2)CC1)c1cccnc1
InChIInChI=1S/C25H30N4O2S/c30-25(21-7-5-11-26-19-21)27-12-3-4-13-28-14-16-29(17-15-28)23-9-1-2-10-24(23)31-20-22-8-6-18-32-22/h1-2,5-11,18-19H,3-4,12-17,20H2,(H,27,30)
InChIKeyUDIWXZDBMSKCLT-UHFFFAOYSA-N
MW450.61 g/mol
LogP4.05
Rot. Bonds10

About N-[4-[4-[2-(thiophen-2-ylmethoxy)phenyl]piperazin-1-yl]butyl]pyridine-3-carboxamide

N-[4-[4-[2-(thiophen-2-ylmethoxy)phenyl]piperazin-1-yl]butyl]pyridine-3-carboxamide (PubChem CID 139793526) has the molecular formula C25H30N4O2S and a molecular weight of 450.61 g/mol. Its IUPAC name is N-[4-[4-[2-(thiophen-2-ylmethoxy)phenyl]piperazin-1-yl]butyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[4-[2-(thiophen-2-ylmethoxy)phenyl]piperazin-1-yl]butyl]pyridine-3-carboxamide
PubChem CID139793526
Molecular FormulaC25H30N4O2S
Molecular Weight450.61 g/mol
Exact Mass450.21
IUPAC NameN-[4-[4-[2-(thiophen-2-ylmethoxy)phenyl]piperazin-1-yl]butyl]pyridine-3-carboxamide
SMILESO=C(NCCCCN1CCN(c2ccccc2OCc2cccs2)CC1)c1cccnc1
InChIInChI=1S/C25H30N4O2S/c30-25(21-7-5-11-26-19-21)27-12-3-4-13-28-14-16-29(17-15-28)23-9-1-2-10-24(23)31-20-22-8-6-18-32-22/h1-2,5-11,18-19H,3-4,12-17,20H2,(H,27,30)
InChIKeyUDIWXZDBMSKCLT-UHFFFAOYSA-N
XLogP4.05
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.61
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(2-phenylmethoxyphenyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide
CID 139793638
N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide
CID 127042300
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]thiophene-2-carboxamide
CID 10248783
N-[5-(4-ethylpiperazin-1-yl)pentyl]pyridine-3-carboxamide
CID 110442851
N-[4-[4-[2-(trifluoromethoxy)phenyl]piperazin-1-yl]butyl]thiophene-2-carboxamide
CID 139080265
N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide;hydrochloride
CID 2909951
3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylcarbamoylamino]-N-(thiophen-2-ylmethyl)benzamide
CID 166381996
N-(3-piperazin-1-ylpropyl)-3-(thiophen-2-ylmethoxy)benzamide;hydrochloride
CID 119394379
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-thiophen-2-ylpyridine-4-carboxamide
CID 53119705
6-chloro-N-[4-[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]butyl]pyridine-3-carboxamide
CID 71658206
N-[4-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-4-imidazol-1-ylbenzamide
CID 42609932
N-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide
CID 127042302

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[2-(thiophen-2-ylmethoxy)phenyl]piperazin-1-yl]butyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[4-[2-(thiophen-2-ylmethoxy)phenyl]piperazin-1-yl]butyl]pyridine-3-carboxamide (CID 139793526) is N-[4-[4-[2-(thiophen-2-ylmethoxy)phenyl]piperazin-1-yl]butyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[4-[2-(thiophen-2-ylmethoxy)phenyl]piperazin-1-yl]butyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[4-[2-(thiophen-2-ylmethoxy)phenyl]piperazin-1-yl]butyl]pyridine-3-carboxamide is O=C(NCCCCN1CCN(c2ccccc2OCc2cccs2)CC1)c1cccnc1.
What is the InChIKey of N-[4-[4-[2-(thiophen-2-ylmethoxy)phenyl]piperazin-1-yl]butyl]pyridine-3-carboxamide?
The InChIKey is UDIWXZDBMSKCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2S/c30-25(21-7-5-11-26-19-21)27-12-3-4-13-28-14-16-29(17-15-28)23-9-1-2-10-24(23)31-20-22-8-6-18-32-22/h1-2,5-11,18-19H,3-4,12-17,20H2,(H,27,30).
What are the key properties of N-[4-[4-[2-(thiophen-2-ylmethoxy)phenyl]piperazin-1-yl]butyl]pyridine-3-carboxamide?
N-[4-[4-[2-(thiophen-2-ylmethoxy)phenyl]piperazin-1-yl]butyl]pyridine-3-carboxamide has a molecular weight of 450.61 g/mol, XLogP of 4.05, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[2-(thiophen-2-ylmethoxy)phenyl]piperazin-1-yl]butyl]pyridine-3-carboxamide is sourced from PubChem (CID 139793526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).