2-(6-methyl-1-benzofuran-3-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide

C20H21N3O2 — CID 38853710

IUPAC2-(6-methyl-1-benzofuran-3-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
SMILESCc1ccc2c(CC(=O)Nc3ccc(N4CCCC4)nc3)coc2c1
InChIInChI=1S/C20H21N3O2/c1-14-4-6-17-15(13-25-18(17)10-14)11-20(24)22-16-5-7-19(21-12-16)23-8-2-3-9-23/h4-7,10,12-13H,2-3,8-9,11H2,1H3,(H,22,24)
InChIKeyUTQHITHIVWQTJX-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.92
Rot. Bonds4

About 2-(6-methyl-1-benzofuran-3-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide

2-(6-methyl-1-benzofuran-3-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide (PubChem CID 38853710) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-(6-methyl-1-benzofuran-3-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(6-methyl-1-benzofuran-3-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
PubChem CID38853710
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name2-(6-methyl-1-benzofuran-3-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
SMILESCc1ccc2c(CC(=O)Nc3ccc(N4CCCC4)nc3)coc2c1
InChIInChI=1S/C20H21N3O2/c1-14-4-6-17-15(13-25-18(17)10-14)11-20(24)22-16-5-7-19(21-12-16)23-8-2-3-9-23/h4-7,10,12-13H,2-3,8-9,11H2,1H3,(H,22,24)
InChIKeyUTQHITHIVWQTJX-UHFFFAOYSA-N
XLogP3.92
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dichlorophenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 3968592
N-(6-piperidin-1-yl-3-pyridinyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 17446568
2-(2-bromophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
CID 113009839
2-(6-methyl-1-benzofuran-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 6460690
N-[3,5-bis(trifluoromethyl)phenyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 7926545
N-[4-(dimethylsulfamoyl)phenyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 4875706
2-(6-methyl-1-benzofuran-3-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 17456098
2-(6-methyl-1-benzofuran-3-yl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide
CID 51505096
3-acetamido-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 47140496
2-(6-methyl-1-benzofuran-3-yl)-N-(1-phenylpiperidin-3-yl)acetamide
CID 86954354
N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113011060
N-[(2,4-dimethylphenyl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 43689488

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-1-benzofuran-3-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide?
The IUPAC name of 2-(6-methyl-1-benzofuran-3-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide (CID 38853710) is 2-(6-methyl-1-benzofuran-3-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(6-methyl-1-benzofuran-3-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide?
The canonical SMILES for 2-(6-methyl-1-benzofuran-3-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide is Cc1ccc2c(CC(=O)Nc3ccc(N4CCCC4)nc3)coc2c1.
What is the InChIKey of 2-(6-methyl-1-benzofuran-3-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide?
The InChIKey is UTQHITHIVWQTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-14-4-6-17-15(13-25-18(17)10-14)11-20(24)22-16-5-7-19(21-12-16)23-8-2-3-9-23/h4-7,10,12-13H,2-3,8-9,11H2,1H3,(H,22,24).
What are the key properties of 2-(6-methyl-1-benzofuran-3-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide?
2-(6-methyl-1-benzofuran-3-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide has a molecular weight of 335.41 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-1-benzofuran-3-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide is sourced from PubChem (CID 38853710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).