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

C23H28N4O2 — CID 59636755

IUPACN,N-dimethyl-7-[4-[2-(5-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-1-benzofuran-2-carboxamide
SMILESCc1ccc(CCN2CCN(c3cccc4cc(C(=O)N(C)C)oc34)CC2)nc1
InChIInChI=1S/C23H28N4O2/c1-17-7-8-19(24-16-17)9-10-26-11-13-27(14-12-26)20-6-4-5-18-15-21(29-22(18)20)23(28)25(2)3/h4-8,15-16H,9-14H2,1-3H3
InChIKeyUYRNUFWWRJXIHU-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.20
Rot. Bonds5

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

N,N-dimethyl-7-[4-[2-(5-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-1-benzofuran-2-carboxamide (PubChem CID 59636755) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N,N-dimethyl-7-[4-[2-(5-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-7-[4-[2-(5-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-1-benzofuran-2-carboxamide
PubChem CID59636755
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC NameN,N-dimethyl-7-[4-[2-(5-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-1-benzofuran-2-carboxamide
SMILESCc1ccc(CCN2CCN(c3cccc4cc(C(=O)N(C)C)oc34)CC2)nc1
InChIInChI=1S/C23H28N4O2/c1-17-7-8-19(24-16-17)9-10-26-11-13-27(14-12-26)20-6-4-5-18-15-21(29-22(18)20)23(28)25(2)3/h4-8,15-16H,9-14H2,1-3H3
InChIKeyUYRNUFWWRJXIHU-UHFFFAOYSA-N
XLogP3.20
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-7-[4-[2-(5-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of N,N-dimethyl-7-[4-[2-(5-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-1-benzofuran-2-carboxamide (CID 59636755) is N,N-dimethyl-7-[4-[2-(5-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-7-[4-[2-(5-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N,N-dimethyl-7-[4-[2-(5-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-1-benzofuran-2-carboxamide is Cc1ccc(CCN2CCN(c3cccc4cc(C(=O)N(C)C)oc34)CC2)nc1.
What is the InChIKey of N,N-dimethyl-7-[4-[2-(5-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-1-benzofuran-2-carboxamide?
The InChIKey is UYRNUFWWRJXIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-17-7-8-19(24-16-17)9-10-26-11-13-27(14-12-26)20-6-4-5-18-15-21(29-22(18)20)23(28)25(2)3/h4-8,15-16H,9-14H2,1-3H3.
What are the key properties of N,N-dimethyl-7-[4-[2-(5-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-1-benzofuran-2-carboxamide?
N,N-dimethyl-7-[4-[2-(5-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-1-benzofuran-2-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-7-[4-[2-(5-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 59636755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).