N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-6-methyl-5-methylsulfonyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C22H20F3N3O5S — CID 11848034

IUPACN-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-6-methyl-5-methylsulfonyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCc1c(S(C)(=O)=O)cc(C(=O)NCc2cc(C3CC3)no2)c(=O)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H20F3N3O5S/c1-12-19(34(2,31)32)10-17(20(29)26-11-16-9-18(27-33-16)13-6-7-13)21(30)28(12)15-5-3-4-14(8-15)22(23,24)25/h3-5,8-10,13H,6-7,11H2,1-2H3,(H,26,29)
InChIKeyOUYLUTJYQNUBIV-UHFFFAOYSA-N
MW495.48 g/mol
LogP3.36
Rot. Bonds6

About N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-6-methyl-5-methylsulfonyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-6-methyl-5-methylsulfonyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 11848034) has the molecular formula C22H20F3N3O5S and a molecular weight of 495.48 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-6-methyl-5-methylsulfonyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-6-methyl-5-methylsulfonyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID11848034
Molecular FormulaC22H20F3N3O5S
Molecular Weight495.48 g/mol
Exact Mass495.11
IUPAC NameN-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-6-methyl-5-methylsulfonyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCc1c(S(C)(=O)=O)cc(C(=O)NCc2cc(C3CC3)no2)c(=O)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H20F3N3O5S/c1-12-19(34(2,31)32)10-17(20(29)26-11-16-9-18(27-33-16)13-6-7-13)21(30)28(12)15-5-3-4-14(8-15)22(23,24)25/h3-5,8-10,13H,6-7,11H2,1-2H3,(H,26,29)
InChIKeyOUYLUTJYQNUBIV-UHFFFAOYSA-N
XLogP3.36
TPSA111.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.48
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-6-methyl-5-methylsulfonyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-6-methyl-5-methylsulfonyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 11848034) is N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-6-methyl-5-methylsulfonyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-6-methyl-5-methylsulfonyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-6-methyl-5-methylsulfonyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is Cc1c(S(C)(=O)=O)cc(C(=O)NCc2cc(C3CC3)no2)c(=O)n1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-6-methyl-5-methylsulfonyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is OUYLUTJYQNUBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O5S/c1-12-19(34(2,31)32)10-17(20(29)26-11-16-9-18(27-33-16)13-6-7-13)21(30)28(12)15-5-3-4-14(8-15)22(23,24)25/h3-5,8-10,13H,6-7,11H2,1-2H3,(H,26,29).
What are the key properties of N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-6-methyl-5-methylsulfonyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-6-methyl-5-methylsulfonyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 495.48 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-6-methyl-5-methylsulfonyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 11848034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).