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

C22H20F3N3O4 — CID 11852867

IUPAC5-cyclopropyl-N-[[3-(hydroxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCc1c(C2CC2)cc(C(=O)NCc2cc(CO)no2)c(=O)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H20F3N3O4/c1-12-18(13-5-6-13)9-19(20(30)26-10-17-8-15(11-29)27-32-17)21(31)28(12)16-4-2-3-14(7-16)22(23,24)25/h2-4,7-9,13,29H,5-6,10-11H2,1H3,(H,26,30)
InChIKeyOZKVINOUMXQNJG-UHFFFAOYSA-N
MW447.41 g/mol
LogP3.45
Rot. Bonds6

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

5-cyclopropyl-N-[[3-(hydroxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 11852867) has the molecular formula C22H20F3N3O4 and a molecular weight of 447.41 g/mol. Its IUPAC name is 5-cyclopropyl-N-[[3-(hydroxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[[3-(hydroxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID11852867
Molecular FormulaC22H20F3N3O4
Molecular Weight447.41 g/mol
Exact Mass447.14
IUPAC Name5-cyclopropyl-N-[[3-(hydroxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCc1c(C2CC2)cc(C(=O)NCc2cc(CO)no2)c(=O)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H20F3N3O4/c1-12-18(13-5-6-13)9-19(20(30)26-10-17-8-15(11-29)27-32-17)21(31)28(12)16-4-2-3-14(7-16)22(23,24)25/h2-4,7-9,13,29H,5-6,10-11H2,1H3,(H,26,30)
InChIKeyOZKVINOUMXQNJG-UHFFFAOYSA-N
XLogP3.45
TPSA97.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.41
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-Hydroxy-1-(1,2-oxazol-3-ylmethoxy)-2-oxoquinoline-3-carbonyl]amino]acetic acid
CID 178306708
6-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 9821812
N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-6-methyl-5-methylsulfonyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 11848034
5-(3,5-Dimethylisoxazol-4-yl)-N-{[3-(2-hydroxyethyl)isoxazol-5-yl]methyl}-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2-dihydropyridine-3-carboxamide
CID 11852760
N-[[3-(2-hydroxyethyl)-1,2-oxazol-5-yl]methyl]-5-iodo-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 11852761
N-{[3-(Hydroxymethyl)isoxazol-5-yl]methyl}-6-methyl-5-(1-methyl-1H-pyrazol-5-yl)-2-oxo-1-[3-(trifluoromethyl)phenyl]1,2-dihydropyridine-3-carboxamide
CID 11852762
5-ethyl-N-[[3-(hydroxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 11852866
5-(3,5-Dimethylisoxazol-4-yl)-N-{[3-hydroxymethylisoxazol-5-yl]methyl}-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2-dihydropyridine-3-carboxamide
CID 11852974
5-(3-Amino-3-oxopropyl)-N-[(3-cyclopropylisoxazol-5-yl)methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2-dihydropyridine-3-carboxamide
CID 11852976
N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-5-[3-(dimethylamino)-3-oxopropyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 11852978
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 17966745
6-Methyl-2-oxo-1-(3-trifluoromethylphenyl)-1,2-dihydro-pyridine-3-carboxylic acid (3-methyl-isoxazol-5-ylmethyl)-amide
CID 66725458

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[[3-(hydroxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[[3-(hydroxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 11852867) is 5-cyclopropyl-N-[[3-(hydroxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[[3-(hydroxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[[3-(hydroxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is Cc1c(C2CC2)cc(C(=O)NCc2cc(CO)no2)c(=O)n1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-cyclopropyl-N-[[3-(hydroxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is OZKVINOUMXQNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O4/c1-12-18(13-5-6-13)9-19(20(30)26-10-17-8-15(11-29)27-32-17)21(31)28(12)16-4-2-3-14(7-16)22(23,24)25/h2-4,7-9,13,29H,5-6,10-11H2,1H3,(H,26,30).
What are the key properties of 5-cyclopropyl-N-[[3-(hydroxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
5-cyclopropyl-N-[[3-(hydroxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 447.41 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[[3-(hydroxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 11852867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).