7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide

C26H27N5O2 — CID 59636771

IUPAC7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide
SMILESO=C(NCc1cccnc1)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
InChIInChI=1S/C26H27N5O2/c32-26(29-19-20-5-4-10-27-18-20)24-17-21-6-3-8-23(25(21)33-24)31-15-13-30(14-16-31)12-9-22-7-1-2-11-28-22/h1-8,10-11,17-18H,9,12-16,19H2,(H,29,32)
InChIKeyHWPOSMAVWYGBQQ-UHFFFAOYSA-N
MW441.54 g/mol
LogP3.52
Rot. Bonds7

About 7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide

7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 59636771) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is 7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide
PubChem CID59636771
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC Name7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide
SMILESO=C(NCc1cccnc1)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
InChIInChI=1S/C26H27N5O2/c32-26(29-19-20-5-4-10-27-18-20)24-17-21-6-3-8-23(25(21)33-24)31-15-13-30(14-16-31)12-9-22-7-1-2-11-28-22/h1-8,10-11,17-18H,9,12-16,19H2,(H,29,32)
InChIKeyHWPOSMAVWYGBQQ-UHFFFAOYSA-N
XLogP3.52
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

N-[(3-methoxyphenyl)methyl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide
CID 59636733
N-[1-(3-methoxy-2-pyridinyl)piperidin-4-yl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide
CID 59636782
N-methyl-N-[(3-methylsulfonylphenyl)methyl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide
CID 59636719
5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 46055568
N-(pyridin-3-ylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole-4-carboxamide
CID 117080115
1-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 51361852
4-[4-(2-phenylethyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)-6,7,8,9-tetrahydropyrimido[4,5-b]indolizine-10-carboxamide
CID 10028748
N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 46470158
5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 42850938
4-(2-bromophenyl)-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108620
4-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212679
4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
CID 42822200

Frequently Asked Questions

What is the IUPAC name of 7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide (CID 59636771) is 7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide is O=C(NCc1cccnc1)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1.
What is the InChIKey of 7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is HWPOSMAVWYGBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c32-26(29-19-20-5-4-10-27-18-20)24-17-21-6-3-8-23(25(21)33-24)31-15-13-30(14-16-31)12-9-22-7-1-2-11-28-22/h1-8,10-11,17-18H,9,12-16,19H2,(H,29,32).
What are the key properties of 7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide?
7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 441.54 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 59636771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).