5-(5-ethylsulfonyl-3-pyridinyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]pyridin-2-amine

C20H20FN3O2S — CID 169260307

IUPAC5-(5-ethylsulfonyl-3-pyridinyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]pyridin-2-amine
SMILESCCS(=O)(=O)c1cncc(-c2ccc(N[C@H](C)c3ccc(F)cc3)nc2)c1
InChIInChI=1S/C20H20FN3O2S/c1-3-27(25,26)19-10-17(11-22-13-19)16-6-9-20(23-12-16)24-14(2)15-4-7-18(21)8-5-15/h4-14H,3H2,1-2H3,(H,23,24)/t14-/m1/s1
InChIKeyXBCMWVLGAPAJIK-CQSZACIVSA-N
MW385.46 g/mol
LogP4.25
Rot. Bonds6

About 5-(5-ethylsulfonyl-3-pyridinyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]pyridin-2-amine

5-(5-ethylsulfonyl-3-pyridinyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]pyridin-2-amine (PubChem CID 169260307) has the molecular formula C20H20FN3O2S and a molecular weight of 385.46 g/mol. Its IUPAC name is 5-(5-ethylsulfonyl-3-pyridinyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-(5-ethylsulfonyl-3-pyridinyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]pyridin-2-amine
PubChem CID169260307
Molecular FormulaC20H20FN3O2S
Molecular Weight385.46 g/mol
Exact Mass385.13
IUPAC Name5-(5-ethylsulfonyl-3-pyridinyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]pyridin-2-amine
SMILESCCS(=O)(=O)c1cncc(-c2ccc(N[C@H](C)c3ccc(F)cc3)nc2)c1
InChIInChI=1S/C20H20FN3O2S/c1-3-27(25,26)19-10-17(11-22-13-19)16-6-9-20(23-12-16)24-14(2)15-4-7-18(21)8-5-15/h4-14H,3H2,1-2H3,(H,23,24)/t14-/m1/s1
InChIKeyXBCMWVLGAPAJIK-CQSZACIVSA-N
XLogP4.25
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[6-[1-(4-fluorophenyl)ethylamino]-3-pyridinyl]phenol
CID 126469684
5-(5-ethyl-3-pyridinyl)-N-[1-(4-methylphenyl)ethyl]pyridin-2-amine
CID 170311249
5-(5-ethyl-3-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]pyrazin-2-amine
CID 170311252
5-(5-ethyl-3-pyridinyl)-N-[1-(2-fluorophenyl)ethyl]pyridin-2-amine
CID 170311218
5-[5-(2-fluoroethyl)-3-pyridinyl]-N-[1-(4-fluorophenyl)ethyl]pyrazin-2-amine
CID 170311206
2,2-difluoro-1-[5-[5-[1-(4-fluorophenyl)ethylamino]pyrazin-2-yl]-3-pyridinyl]ethanol
CID 169260425
N-[1-(4-fluorophenyl)ethyl]pyrazin-2-amine
CID 60631879
2-N-[1-(4-fluorophenyl)ethyl]-6-N-propylpyrazine-2,6-diamine
CID 80801786
N-[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]propanamide
CID 118560751
2-(4-fluorophenyl)sulfonyl-N-(5-phenyl-2-pyridinyl)propanamide
CID 75416503
6-N,2-diethyl-4-N-[1-(4-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 80940032
(1S)-1-(5-ethylsulfonyl-3-pyridinyl)ethanamine
CID 68652782

Frequently Asked Questions

What is the IUPAC name of 5-(5-ethylsulfonyl-3-pyridinyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]pyridin-2-amine?
The IUPAC name of 5-(5-ethylsulfonyl-3-pyridinyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]pyridin-2-amine (CID 169260307) is 5-(5-ethylsulfonyl-3-pyridinyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]pyridin-2-amine.
What is the SMILES notation for 5-(5-ethylsulfonyl-3-pyridinyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]pyridin-2-amine?
The canonical SMILES for 5-(5-ethylsulfonyl-3-pyridinyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]pyridin-2-amine is CCS(=O)(=O)c1cncc(-c2ccc(N[C@H](C)c3ccc(F)cc3)nc2)c1.
What is the InChIKey of 5-(5-ethylsulfonyl-3-pyridinyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]pyridin-2-amine?
The InChIKey is XBCMWVLGAPAJIK-CQSZACIVSA-N. The full InChI is InChI=1S/C20H20FN3O2S/c1-3-27(25,26)19-10-17(11-22-13-19)16-6-9-20(23-12-16)24-14(2)15-4-7-18(21)8-5-15/h4-14H,3H2,1-2H3,(H,23,24)/t14-/m1/s1.
What are the key properties of 5-(5-ethylsulfonyl-3-pyridinyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]pyridin-2-amine?
5-(5-ethylsulfonyl-3-pyridinyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]pyridin-2-amine has a molecular weight of 385.46 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethylsulfonyl-3-pyridinyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]pyridin-2-amine is sourced from PubChem (CID 169260307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).