7-[4-[2-(5-acetyl-2-pyridinyl)ethyl]piperazin-1-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide

C24H28N4O3 — CID 59636753

IUPAC7-[4-[2-(5-acetyl-2-pyridinyl)ethyl]piperazin-1-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide
SMILESCC(=O)c1ccc(CCN2CCN(c3cccc4cc(C(=O)N(C)C)oc34)CC2)nc1
InChIInChI=1S/C24H28N4O3/c1-17(29)19-7-8-20(25-16-19)9-10-27-11-13-28(14-12-27)21-6-4-5-18-15-22(31-23(18)21)24(30)26(2)3/h4-8,15-16H,9-14H2,1-3H3
InChIKeyYJUZOTSZKOCVNL-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.10
Rot. Bonds6

About 7-[4-[2-(5-acetyl-2-pyridinyl)ethyl]piperazin-1-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide

7-[4-[2-(5-acetyl-2-pyridinyl)ethyl]piperazin-1-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide (PubChem CID 59636753) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 7-[4-[2-(5-acetyl-2-pyridinyl)ethyl]piperazin-1-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-[4-[2-(5-acetyl-2-pyridinyl)ethyl]piperazin-1-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide
PubChem CID59636753
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name7-[4-[2-(5-acetyl-2-pyridinyl)ethyl]piperazin-1-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide
SMILESCC(=O)c1ccc(CCN2CCN(c3cccc4cc(C(=O)N(C)C)oc34)CC2)nc1
InChIInChI=1S/C24H28N4O3/c1-17(29)19-7-8-20(25-16-19)9-10-27-11-13-28(14-12-27)21-6-4-5-18-15-22(31-23(18)21)24(30)26(2)3/h4-8,15-16H,9-14H2,1-3H3
InChIKeyYJUZOTSZKOCVNL-UHFFFAOYSA-N
XLogP3.10
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-[4-[2-(5-acetyl-2-pyridinyl)ethyl]piperazin-1-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

Bradanicline
CID 25147644
Benzofuran-2-carboxylic acid ((2R,3R)-2-pyridin-3-ylmethyl-1-aza-bicyclo[2.2.2]oct-3-yl)-amide
CID 44225415
4-{[6-(2-{2-[(2R)-methylpyrrolidinyl]ethyl}-1-benzofuran-5-yl)-3-pyridinyl]carbonyl}morpholine
CID 44374493
N,N-dimethyl-7-(4-(2-(pyridin-2-yl)ethyl)piperazin-1-yl)benzofuran-2-carboxamide
CID 49848635
N-[(3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-2-carboxamide
CID 71463351
5-ethyl-3-methyl-N-(3-pyridinyl)-1-benzofuran-2-carboxamide
CID 852714
2-[3-[2-furanyl(oxo)methyl]-1-indolyl]-N-(2-methoxyphenyl)acetamide
CID 2975165
N,3,5-trimethyl-N-(pyrazin-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 24791600
CID 16727410
CID 16727410
4-[(6-{2-[2-(4-Methyl-1-piperidinyl)ethyl]-1-benzofuran-5-yl}-3-pyridinyl)carbonyl]morpholine
CID 22274462
4-[(6-{2-[2-(1-Piperidinyl)ethyl]-1-benzofuran-5-yl}-3-pyridinyl)carbonyl]morpholine
CID 22274469
4-{[6-(2-{2-[1-Azepanyl]ethyl}-1-benzofuran-5-yl)-3-pyridinyl]carbonyl}morpholine
CID 22274472

Frequently Asked Questions

What is the IUPAC name of 7-[4-[2-(5-acetyl-2-pyridinyl)ethyl]piperazin-1-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of 7-[4-[2-(5-acetyl-2-pyridinyl)ethyl]piperazin-1-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide (CID 59636753) is 7-[4-[2-(5-acetyl-2-pyridinyl)ethyl]piperazin-1-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-[4-[2-(5-acetyl-2-pyridinyl)ethyl]piperazin-1-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-[4-[2-(5-acetyl-2-pyridinyl)ethyl]piperazin-1-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide is CC(=O)c1ccc(CCN2CCN(c3cccc4cc(C(=O)N(C)C)oc34)CC2)nc1.
What is the InChIKey of 7-[4-[2-(5-acetyl-2-pyridinyl)ethyl]piperazin-1-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide?
The InChIKey is YJUZOTSZKOCVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-17(29)19-7-8-20(25-16-19)9-10-27-11-13-28(14-12-27)21-6-4-5-18-15-22(31-23(18)21)24(30)26(2)3/h4-8,15-16H,9-14H2,1-3H3.
What are the key properties of 7-[4-[2-(5-acetyl-2-pyridinyl)ethyl]piperazin-1-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide?
7-[4-[2-(5-acetyl-2-pyridinyl)ethyl]piperazin-1-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[2-(5-acetyl-2-pyridinyl)ethyl]piperazin-1-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 59636753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).