N-[(1R)-1-[3-(difluoromethylsulfonyl)-2-methylphenyl]ethyl]-2-[1-(fluoromethyl)cyclopropyl]-6-methylpyridin-4-amine

C20H23F3N2O2S — CID 175411419

IUPACN-[(1R)-1-[3-(difluoromethylsulfonyl)-2-methylphenyl]ethyl]-2-[1-(fluoromethyl)cyclopropyl]-6-methylpyridin-4-amine
SMILESCc1cc(N[C@H](C)c2cccc(S(=O)(=O)C(F)F)c2C)cc(C2(CF)CC2)n1
InChIInChI=1S/C20H23F3N2O2S/c1-12-9-15(10-18(24-12)20(11-21)7-8-20)25-14(3)16-5-4-6-17(13(16)2)28(26,27)19(22)23/h4-6,9-10,14,19H,7-8,11H2,1-3H3,(H,24,25)/t14-/m1/s1
InChIKeyLOMJDPIOZFLKRD-CQSZACIVSA-N
MW412.48 g/mol
LogP4.87
Rot. Bonds7

About N-[(1R)-1-[3-(difluoromethylsulfonyl)-2-methylphenyl]ethyl]-2-[1-(fluoromethyl)cyclopropyl]-6-methylpyridin-4-amine

N-[(1R)-1-[3-(difluoromethylsulfonyl)-2-methylphenyl]ethyl]-2-[1-(fluoromethyl)cyclopropyl]-6-methylpyridin-4-amine (PubChem CID 175411419) has the molecular formula C20H23F3N2O2S and a molecular weight of 412.48 g/mol. Its IUPAC name is N-[(1R)-1-[3-(difluoromethylsulfonyl)-2-methylphenyl]ethyl]-2-[1-(fluoromethyl)cyclopropyl]-6-methylpyridin-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-[3-(difluoromethylsulfonyl)-2-methylphenyl]ethyl]-2-[1-(fluoromethyl)cyclopropyl]-6-methylpyridin-4-amine
PubChem CID175411419
Molecular FormulaC20H23F3N2O2S
Molecular Weight412.48 g/mol
Exact Mass412.14
IUPAC NameN-[(1R)-1-[3-(difluoromethylsulfonyl)-2-methylphenyl]ethyl]-2-[1-(fluoromethyl)cyclopropyl]-6-methylpyridin-4-amine
SMILESCc1cc(N[C@H](C)c2cccc(S(=O)(=O)C(F)F)c2C)cc(C2(CF)CC2)n1
InChIInChI=1S/C20H23F3N2O2S/c1-12-9-15(10-18(24-12)20(11-21)7-8-20)25-14(3)16-5-4-6-17(13(16)2)28(26,27)19(22)23/h4-6,9-10,14,19H,7-8,11H2,1-3H3,(H,24,25)/t14-/m1/s1
InChIKeyLOMJDPIOZFLKRD-CQSZACIVSA-N
XLogP4.87
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.48
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[2-fluoro-3-(trifluoromethylsulfonyl)phenyl]ethyl]-6-methylpyridin-4-amine
CID 175411889
1-chloro-4-[[(1R)-1-[3-(difluoromethylsulfonyl)-2-methylphenyl]ethyl]amino]-6-(1-methylcyclopropyl)pyrido[3,4-d]pyridazin-7-one
CID 172610210
6-[1-(fluoromethyl)cyclopropyl]-2-methyl-4-[1-[2-methyl-3-(trifluoromethylsulfonyl)phenyl]ethylamino]pyrido[4,3-d]pyrimidin-7-one
CID 170428447
3-[2-(difluoromethylsulfonyl)phenyl]-N-ethylbutan-2-amine
CID 63199560
3-[2-(difluoromethylsulfonyl)phenyl]butan-2-amine
CID 63198213
2-[2-(difluoromethylsulfonyl)phenyl]pentan-3-ol
CID 63562518
N-[1-(2-methylphenyl)ethyl]-2-methylsulfonylaniline
CID 43233045
2-methyl-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinolin-4-amine
CID 175944503
1-(2-chloropentan-3-yl)-2-(difluoromethylsulfonyl)benzene
CID 63205183
N-[1-(2-fluorophenyl)ethyl]-2-methylsulfonylaniline
CID 43232220
2,6-dimethyl-N-propylpyridin-4-amine
CID 126976609
7-N,2-dimethyl-4-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinoline-4,7-diamine
CID 175761070

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-(difluoromethylsulfonyl)-2-methylphenyl]ethyl]-2-[1-(fluoromethyl)cyclopropyl]-6-methylpyridin-4-amine?
The IUPAC name of N-[(1R)-1-[3-(difluoromethylsulfonyl)-2-methylphenyl]ethyl]-2-[1-(fluoromethyl)cyclopropyl]-6-methylpyridin-4-amine (CID 175411419) is N-[(1R)-1-[3-(difluoromethylsulfonyl)-2-methylphenyl]ethyl]-2-[1-(fluoromethyl)cyclopropyl]-6-methylpyridin-4-amine.
What is the SMILES notation for N-[(1R)-1-[3-(difluoromethylsulfonyl)-2-methylphenyl]ethyl]-2-[1-(fluoromethyl)cyclopropyl]-6-methylpyridin-4-amine?
The canonical SMILES for N-[(1R)-1-[3-(difluoromethylsulfonyl)-2-methylphenyl]ethyl]-2-[1-(fluoromethyl)cyclopropyl]-6-methylpyridin-4-amine is Cc1cc(N[C@H](C)c2cccc(S(=O)(=O)C(F)F)c2C)cc(C2(CF)CC2)n1.
What is the InChIKey of N-[(1R)-1-[3-(difluoromethylsulfonyl)-2-methylphenyl]ethyl]-2-[1-(fluoromethyl)cyclopropyl]-6-methylpyridin-4-amine?
The InChIKey is LOMJDPIOZFLKRD-CQSZACIVSA-N. The full InChI is InChI=1S/C20H23F3N2O2S/c1-12-9-15(10-18(24-12)20(11-21)7-8-20)25-14(3)16-5-4-6-17(13(16)2)28(26,27)19(22)23/h4-6,9-10,14,19H,7-8,11H2,1-3H3,(H,24,25)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-[3-(difluoromethylsulfonyl)-2-methylphenyl]ethyl]-2-[1-(fluoromethyl)cyclopropyl]-6-methylpyridin-4-amine?
N-[(1R)-1-[3-(difluoromethylsulfonyl)-2-methylphenyl]ethyl]-2-[1-(fluoromethyl)cyclopropyl]-6-methylpyridin-4-amine has a molecular weight of 412.48 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[3-(difluoromethylsulfonyl)-2-methylphenyl]ethyl]-2-[1-(fluoromethyl)cyclopropyl]-6-methylpyridin-4-amine is sourced from PubChem (CID 175411419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).