1-(9H-fluoren-3-yl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanone

C22H20N2O — CID 2458864

IUPAC1-(9H-fluoren-3-yl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
SMILESCN(CC(=O)c1ccc2c(c1)-c1ccccc1C2)Cc1cccnc1
InChIInChI=1S/C22H20N2O/c1-24(14-16-5-4-10-23-13-16)15-22(25)19-9-8-18-11-17-6-2-3-7-20(17)21(18)12-19/h2-10,12-13H,11,14-15H2,1H3
InChIKeyIUPRCVUPDNEFQZ-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.97
Rot. Bonds5

About 1-(9H-fluoren-3-yl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanone

1-(9H-fluoren-3-yl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanone (PubChem CID 2458864) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-(9H-fluoren-3-yl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanone.

Molecular Properties

Compound Name1-(9H-fluoren-3-yl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
PubChem CID2458864
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC Name1-(9H-fluoren-3-yl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
SMILESCN(CC(=O)c1ccc2c(c1)-c1ccccc1C2)Cc1cccnc1
InChIInChI=1S/C22H20N2O/c1-24(14-16-5-4-10-23-13-16)15-22(25)19-9-8-18-11-17-6-2-3-7-20(17)21(18)12-19/h2-10,12-13H,11,14-15H2,1H3
InChIKeyIUPRCVUPDNEFQZ-UHFFFAOYSA-N
XLogP3.97
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(9H-fluoren-3-yl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanone with MolForge

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Related Compounds

1-(3-methoxyphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 60650680
1-[2-(dimethylamino)ethyl]-3-(9H-fluoren-2-yl)-1-(pyridin-3-ylmethyl)urea
CID 87009139
1-(4-fluorophenyl)-4-[methyl(pyridin-3-ylmethyl)amino]butan-1-one
CID 60692668
4-[methyl(pyridin-3-ylmethyl)amino]-3-oxobutanenitrile
CID 117038514
1-(2-bromophenyl)-3-[methyl(pyridin-3-ylmethyl)amino]propan-1-one
CID 62629518
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 62052013
1-(2-fluorophenyl)-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-one
CID 62052978
sodium;hydride;5-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid
CID 173402275
2,2-dimethyl-3-[methyl(pyridin-3-ylmethyl)amino]-1-phenylpropan-1-one
CID 63196149
N-(2-aminophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 43563126
1-(9,10-dihydrophenanthren-2-yl)-2-(dimethylamino)ethanone
CID 170896197
N-methyl-2-[methyl(pyridin-3-ylmethyl)amino]-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 70760900

Frequently Asked Questions

What is the IUPAC name of 1-(9H-fluoren-3-yl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanone?
The IUPAC name of 1-(9H-fluoren-3-yl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanone (CID 2458864) is 1-(9H-fluoren-3-yl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanone.
What is the SMILES notation for 1-(9H-fluoren-3-yl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanone?
The canonical SMILES for 1-(9H-fluoren-3-yl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanone is CN(CC(=O)c1ccc2c(c1)-c1ccccc1C2)Cc1cccnc1.
What is the InChIKey of 1-(9H-fluoren-3-yl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanone?
The InChIKey is IUPRCVUPDNEFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O/c1-24(14-16-5-4-10-23-13-16)15-22(25)19-9-8-18-11-17-6-2-3-7-20(17)21(18)12-19/h2-10,12-13H,11,14-15H2,1H3.
What are the key properties of 1-(9H-fluoren-3-yl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanone?
1-(9H-fluoren-3-yl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanone has a molecular weight of 328.42 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-fluoren-3-yl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanone is sourced from PubChem (CID 2458864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).