N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-3-methyl-1,2,4-oxadiazole-5-carboxamide

C17H17F4N5O2 — CID 118307904

IUPACN-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-3-methyl-1,2,4-oxadiazole-5-carboxamide
SMILESCc1noc(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)[C@@](C)(F)CC3(F)F)c2)n1
InChIInChI=1S/C17H17F4N5O2/c1-8-23-13(28-26-8)12(27)24-9-4-5-11(18)10(6-9)16(3)17(20,21)7-15(2,19)14(22)25-16/h4-6H,7H2,1-3H3,(H2,22,25)(H,24,27)/t15-,16+/m0/s1
InChIKeySUTNBTCNHDOKDD-JKSUJKDBSA-N
MW399.35 g/mol
LogP3.11
Rot. Bonds3

About N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-3-methyl-1,2,4-oxadiazole-5-carboxamide

N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-3-methyl-1,2,4-oxadiazole-5-carboxamide (PubChem CID 118307904) has the molecular formula C17H17F4N5O2 and a molecular weight of 399.35 g/mol. Its IUPAC name is N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-3-methyl-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-3-methyl-1,2,4-oxadiazole-5-carboxamide
PubChem CID118307904
Molecular FormulaC17H17F4N5O2
Molecular Weight399.35 g/mol
Exact Mass399.13
IUPAC NameN-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-3-methyl-1,2,4-oxadiazole-5-carboxamide
SMILESCc1noc(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)[C@@](C)(F)CC3(F)F)c2)n1
InChIInChI=1S/C17H17F4N5O2/c1-8-23-13(28-26-8)12(27)24-9-4-5-11(18)10(6-9)16(3)17(20,21)7-15(2,19)14(22)25-16/h4-6H,7H2,1-3H3,(H2,22,25)(H,24,27)/t15-,16+/m0/s1
InChIKeySUTNBTCNHDOKDD-JKSUJKDBSA-N
XLogP3.11
TPSA106.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.35
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-3-methyl-1,2,4-oxadiazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-3-methyl-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-3-methyl-1,2,4-oxadiazole-5-carboxamide (CID 118307904) is N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-3-methyl-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-3-methyl-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-3-methyl-1,2,4-oxadiazole-5-carboxamide is Cc1noc(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)[C@@](C)(F)CC3(F)F)c2)n1.
What is the InChIKey of N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-3-methyl-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is SUTNBTCNHDOKDD-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H17F4N5O2/c1-8-23-13(28-26-8)12(27)24-9-4-5-11(18)10(6-9)16(3)17(20,21)7-15(2,19)14(22)25-16/h4-6H,7H2,1-3H3,(H2,22,25)(H,24,27)/t15-,16+/m0/s1.
What are the key properties of N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-3-methyl-1,2,4-oxadiazole-5-carboxamide?
N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-3-methyl-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 399.35 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-3-methyl-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 118307904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).