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

C23H20F3N5O4 — CID 11852762

IUPACN-[[3-(hydroxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-5-(2-methylpyrazol-3-yl)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCc1c(-c2ccnn2C)cc(C(=O)NCc2cc(CO)no2)c(=O)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H20F3N5O4/c1-13-18(20-6-7-28-30(20)2)10-19(21(33)27-11-17-9-15(12-32)29-35-17)22(34)31(13)16-5-3-4-14(8-16)23(24,25)26/h3-10,32H,11-12H2,1-2H3,(H,27,33)
InChIKeyZHZXGMRTBFFBQA-UHFFFAOYSA-N
MW487.44 g/mol
LogP2.98
Rot. Bonds6

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

N-[[3-(hydroxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-5-(2-methylpyrazol-3-yl)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 11852762) has the molecular formula C23H20F3N5O4 and a molecular weight of 487.44 g/mol. Its IUPAC name is N-[[3-(hydroxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-5-(2-methylpyrazol-3-yl)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(hydroxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-5-(2-methylpyrazol-3-yl)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID11852762
Molecular FormulaC23H20F3N5O4
Molecular Weight487.44 g/mol
Exact Mass487.15
IUPAC NameN-[[3-(hydroxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-5-(2-methylpyrazol-3-yl)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCc1c(-c2ccnn2C)cc(C(=O)NCc2cc(CO)no2)c(=O)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H20F3N5O4/c1-13-18(20-6-7-28-30(20)2)10-19(21(33)27-11-17-9-15(12-32)29-35-17)22(34)31(13)16-5-3-4-14(8-16)23(24,25)26/h3-10,32H,11-12H2,1-2H3,(H,27,33)
InChIKeyZHZXGMRTBFFBQA-UHFFFAOYSA-N
XLogP2.98
TPSA115.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.44
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(hydroxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-5-(2-methylpyrazol-3-yl)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[[3-(hydroxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-5-(2-methylpyrazol-3-yl)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 11852762) is N-[[3-(hydroxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-5-(2-methylpyrazol-3-yl)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[3-(hydroxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-5-(2-methylpyrazol-3-yl)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[3-(hydroxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-5-(2-methylpyrazol-3-yl)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is Cc1c(-c2ccnn2C)cc(C(=O)NCc2cc(CO)no2)c(=O)n1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[[3-(hydroxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-5-(2-methylpyrazol-3-yl)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is ZHZXGMRTBFFBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5O4/c1-13-18(20-6-7-28-30(20)2)10-19(21(33)27-11-17-9-15(12-32)29-35-17)22(34)31(13)16-5-3-4-14(8-16)23(24,25)26/h3-10,32H,11-12H2,1-2H3,(H,27,33).
What are the key properties of N-[[3-(hydroxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-5-(2-methylpyrazol-3-yl)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
N-[[3-(hydroxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-5-(2-methylpyrazol-3-yl)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 487.44 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(hydroxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-5-(2-methylpyrazol-3-yl)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 11852762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).