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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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).