2-ethylsulfanyl-3,6-dimethyl-8-[(1R)-1-[(2-methyl-3-pyridinyl)amino]ethyl]chromen-4-one

C21H24N2O2S — CID 169269289

IUPAC2-ethylsulfanyl-3,6-dimethyl-8-[(1R)-1-[(2-methyl-3-pyridinyl)amino]ethyl]chromen-4-one
SMILESCCSc1oc2c([C@@H](C)Nc3cccnc3C)cc(C)cc2c(=O)c1C
InChIInChI=1S/C21H24N2O2S/c1-6-26-21-13(3)19(24)17-11-12(2)10-16(20(17)25-21)14(4)23-18-8-7-9-22-15(18)5/h7-11,14,23H,6H2,1-5H3/t14-/m1/s1
InChIKeyFDWOJALGNHJESL-CQSZACIVSA-N
MW368.50 g/mol
LogP5.40
Rot. Bonds5

About 2-ethylsulfanyl-3,6-dimethyl-8-[(1R)-1-[(2-methyl-3-pyridinyl)amino]ethyl]chromen-4-one

2-ethylsulfanyl-3,6-dimethyl-8-[(1R)-1-[(2-methyl-3-pyridinyl)amino]ethyl]chromen-4-one (PubChem CID 169269289) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is 2-ethylsulfanyl-3,6-dimethyl-8-[(1R)-1-[(2-methyl-3-pyridinyl)amino]ethyl]chromen-4-one.

Molecular Properties

Compound Name2-ethylsulfanyl-3,6-dimethyl-8-[(1R)-1-[(2-methyl-3-pyridinyl)amino]ethyl]chromen-4-one
PubChem CID169269289
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC Name2-ethylsulfanyl-3,6-dimethyl-8-[(1R)-1-[(2-methyl-3-pyridinyl)amino]ethyl]chromen-4-one
SMILESCCSc1oc2c([C@@H](C)Nc3cccnc3C)cc(C)cc2c(=O)c1C
InChIInChI=1S/C21H24N2O2S/c1-6-26-21-13(3)19(24)17-11-12(2)10-16(20(17)25-21)14(4)23-18-8-7-9-22-15(18)5/h7-11,14,23H,6H2,1-5H3/t14-/m1/s1
InChIKeyFDWOJALGNHJESL-CQSZACIVSA-N
XLogP5.40
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.50
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-ethylsulfanyl-3,6-dimethyl-8-[(1R)-1-[(2-methyl-3-pyridinyl)amino]ethyl]chromen-4-one with MolForge

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Launch Full Analysis

Related Compounds

8-[1-[(2-chloro-3-pyridinyl)amino]ethyl]-2-ethylsulfanyl-3,6-dimethylchromen-4-one
CID 170339451
8-[1-[(6-chloro-2-methyl-3-pyridinyl)amino]ethyl]-2-ethylsulfanyl-3,6-dimethylchromen-4-one
CID 170339360
8-[1-[(2-fluoro-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one
CID 169270678
8-[(1R)-1-[[2-(difluoromethyl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one
CID 169269764
3,6-dimethyl-2-phenyl-8-[(1R)-1-[[2-(2H-tetrazol-5-yl)-3-pyridinyl]amino]ethyl]chromen-4-one
CID 170415799
8-[1-[[2-(2-fluorophenyl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one
CID 174203272
8-[(1R)-1-[[2-(2,6-difluorophenyl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one
CID 174170867
[3-[1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethylamino]pyridine-2-carbonyl]sulfamoylcarbamic acid
CID 170339320
N-cyclopentyl-3-[1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethylamino]pyridine-2-carboxamide
CID 169270069
3,6-dimethyl-8-[(1R)-1-(2-methylanilino)ethyl]-2-phenylchromen-4-one
CID 169269773
8-[(1R)-1-[(6-chloro-2-methyl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-pyridin-3-ylchromen-4-one
CID 169270702
8-[1-[2-(hydroxymethyl)anilino]ethyl]-3,6-dimethyl-2-pyridin-3-ylchromen-4-one
CID 174209844

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-3,6-dimethyl-8-[(1R)-1-[(2-methyl-3-pyridinyl)amino]ethyl]chromen-4-one?
The IUPAC name of 2-ethylsulfanyl-3,6-dimethyl-8-[(1R)-1-[(2-methyl-3-pyridinyl)amino]ethyl]chromen-4-one (CID 169269289) is 2-ethylsulfanyl-3,6-dimethyl-8-[(1R)-1-[(2-methyl-3-pyridinyl)amino]ethyl]chromen-4-one.
What is the SMILES notation for 2-ethylsulfanyl-3,6-dimethyl-8-[(1R)-1-[(2-methyl-3-pyridinyl)amino]ethyl]chromen-4-one?
The canonical SMILES for 2-ethylsulfanyl-3,6-dimethyl-8-[(1R)-1-[(2-methyl-3-pyridinyl)amino]ethyl]chromen-4-one is CCSc1oc2c([C@@H](C)Nc3cccnc3C)cc(C)cc2c(=O)c1C.
What is the InChIKey of 2-ethylsulfanyl-3,6-dimethyl-8-[(1R)-1-[(2-methyl-3-pyridinyl)amino]ethyl]chromen-4-one?
The InChIKey is FDWOJALGNHJESL-CQSZACIVSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-6-26-21-13(3)19(24)17-11-12(2)10-16(20(17)25-21)14(4)23-18-8-7-9-22-15(18)5/h7-11,14,23H,6H2,1-5H3/t14-/m1/s1.
What are the key properties of 2-ethylsulfanyl-3,6-dimethyl-8-[(1R)-1-[(2-methyl-3-pyridinyl)amino]ethyl]chromen-4-one?
2-ethylsulfanyl-3,6-dimethyl-8-[(1R)-1-[(2-methyl-3-pyridinyl)amino]ethyl]chromen-4-one has a molecular weight of 368.50 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-3,6-dimethyl-8-[(1R)-1-[(2-methyl-3-pyridinyl)amino]ethyl]chromen-4-one is sourced from PubChem (CID 169269289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).