1-[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-3-pyridinyl]pyrrolidin-2-one

C20H23N3O2 — CID 126769141

IUPAC1-[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-3-pyridinyl]pyrrolidin-2-one
SMILESCC1(C)Cc2cccc(CNc3ccc(N4CCCC4=O)cn3)c2O1
InChIInChI=1S/C20H23N3O2/c1-20(2)11-14-5-3-6-15(19(14)25-20)12-21-17-9-8-16(13-22-17)23-10-4-7-18(23)24/h3,5-6,8-9,13H,4,7,10-12H2,1-2H3,(H,21,22)
InChIKeyNTUBMSCEADSOJS-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.53
Rot. Bonds4

About 1-[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-3-pyridinyl]pyrrolidin-2-one

1-[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-3-pyridinyl]pyrrolidin-2-one (PubChem CID 126769141) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-3-pyridinyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-3-pyridinyl]pyrrolidin-2-one
PubChem CID126769141
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name1-[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-3-pyridinyl]pyrrolidin-2-one
SMILESCC1(C)Cc2cccc(CNc3ccc(N4CCCC4=O)cn3)c2O1
InChIInChI=1S/C20H23N3O2/c1-20(2)11-14-5-3-6-15(19(14)25-20)12-21-17-9-8-16(13-22-17)23-10-4-7-18(23)24/h3,5-6,8-9,13H,4,7,10-12H2,1-2H3,(H,21,22)
InChIKeyNTUBMSCEADSOJS-UHFFFAOYSA-N
XLogP3.53
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-3-pyridinyl]pyrrolidin-2-one with MolForge

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Related Compounds

1-[6-[(5-methylfuran-2-yl)methylamino]-3-pyridinyl]pyrrolidin-2-one
CID 126783097
6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-N,N-dimethylpyridine-3-sulfonamide
CID 126795085
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 8588775
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclohexanamine
CID 64509473
N-[2-(2,2-dimethyl-3H-1-benzofuran-7-yl)ethyl]-2-methylpropan-2-amine
CID 64865805
(2R)-2-amino-N-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]propanamide;hydrochloride
CID 120873315
2-cyclopentyl-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]ethanamine
CID 64507929
1-[3-[(2-methylphenyl)methylamino]phenyl]pyrrolidin-2-one
CID 28680051
3-bromo-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-5-methylaniline
CID 107582306
cis-(1R,3S)-2,2-dimethyl-3-[[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 122066179
6-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]-N-prop-2-enylpyridine-3-carboxamide
CID 133345456
methyl (2R)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-2-methylpentanoate
CID 97261623

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-3-pyridinyl]pyrrolidin-2-one?
The IUPAC name of 1-[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-3-pyridinyl]pyrrolidin-2-one (CID 126769141) is 1-[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-3-pyridinyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-3-pyridinyl]pyrrolidin-2-one?
The canonical SMILES for 1-[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-3-pyridinyl]pyrrolidin-2-one is CC1(C)Cc2cccc(CNc3ccc(N4CCCC4=O)cn3)c2O1.
What is the InChIKey of 1-[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-3-pyridinyl]pyrrolidin-2-one?
The InChIKey is NTUBMSCEADSOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-20(2)11-14-5-3-6-15(19(14)25-20)12-21-17-9-8-16(13-22-17)23-10-4-7-18(23)24/h3,5-6,8-9,13H,4,7,10-12H2,1-2H3,(H,21,22).
What are the key properties of 1-[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-3-pyridinyl]pyrrolidin-2-one?
1-[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-3-pyridinyl]pyrrolidin-2-one has a molecular weight of 337.42 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-3-pyridinyl]pyrrolidin-2-one is sourced from PubChem (CID 126769141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).