2-methyl-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide

C26H24N4O3 — CID 20925870

IUPAC2-methyl-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide
SMILESCc1ccccc1C(=O)Nc1c(C(=O)N2CCN(c3ccccn3)CC2)oc2ccccc12
InChIInChI=1S/C26H24N4O3/c1-18-8-2-3-9-19(18)25(31)28-23-20-10-4-5-11-21(20)33-24(23)26(32)30-16-14-29(15-17-30)22-12-6-7-13-27-22/h2-13H,14-17H2,1H3,(H,28,31)
InChIKeyCZCKDIGNQPOFPX-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.35
Rot. Bonds4

About 2-methyl-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide

2-methyl-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide (PubChem CID 20925870) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is 2-methyl-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide
PubChem CID20925870
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC Name2-methyl-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide
SMILESCc1ccccc1C(=O)Nc1c(C(=O)N2CCN(c3ccccn3)CC2)oc2ccccc12
InChIInChI=1S/C26H24N4O3/c1-18-8-2-3-9-19(18)25(31)28-23-20-10-4-5-11-21(20)33-24(23)26(32)30-16-14-29(15-17-30)22-12-6-7-13-27-22/h2-13H,14-17H2,1H3,(H,28,31)
InChIKeyCZCKDIGNQPOFPX-UHFFFAOYSA-N
XLogP4.35
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-methylbenzamide
CID 20925872
N-[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-methylbenzamide
CID 20925865
2-(3-methylphenoxy)-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]acetamide
CID 22511005
3-(3-methoxy-1,2-oxazol-5-yl)-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]propanamide
CID 22511004
2-fluoro-N-[2-(pyrrolidine-1-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20926229
2-chloro-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
CID 17462897
(5-ethoxy-3-methyl-1-benzofuran-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 18104764
(7-chloro-3-methyl-1-benzofuran-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 51143726
2-ethoxy-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20926220
(2,5-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 925511
2-[(2-methylbenzoyl)amino]-5-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid
CID 50781891
N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]pyridine-4-carboxamide
CID 17419143

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide?
The IUPAC name of 2-methyl-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide (CID 20925870) is 2-methyl-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide?
The canonical SMILES for 2-methyl-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide is Cc1ccccc1C(=O)Nc1c(C(=O)N2CCN(c3ccccn3)CC2)oc2ccccc12.
What is the InChIKey of 2-methyl-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide?
The InChIKey is CZCKDIGNQPOFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-18-8-2-3-9-19(18)25(31)28-23-20-10-4-5-11-21(20)33-24(23)26(32)30-16-14-29(15-17-30)22-12-6-7-13-27-22/h2-13H,14-17H2,1H3,(H,28,31).
What are the key properties of 2-methyl-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide?
2-methyl-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide has a molecular weight of 440.50 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide is sourced from PubChem (CID 20925870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).