N-methyl-4-[[4-[[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-2-yl]carbamoylamino]phenyl]methyl]pyridine-2-carboxamide

C24H19F3N6O3 — CID 70304937

IUPACN-methyl-4-[[4-[[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-2-yl]carbamoylamino]phenyl]methyl]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Cc2ccc(NC(=O)Nc3ncc(-c4ccc(C(F)(F)F)nc4)o3)cc2)ccn1
InChIInChI=1S/C24H19F3N6O3/c1-28-21(34)18-11-15(8-9-29-18)10-14-2-5-17(6-3-14)32-22(35)33-23-31-13-19(36-23)16-4-7-20(30-12-16)24(25,26)27/h2-9,11-13H,10H2,1H3,(H,28,34)(H2,31,32,33,35)
InChIKeyPLTHSECSSQOPPS-UHFFFAOYSA-N
MW496.45 g/mol
LogP4.74
Rot. Bonds6

About N-methyl-4-[[4-[[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-2-yl]carbamoylamino]phenyl]methyl]pyridine-2-carboxamide

N-methyl-4-[[4-[[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-2-yl]carbamoylamino]phenyl]methyl]pyridine-2-carboxamide (PubChem CID 70304937) has the molecular formula C24H19F3N6O3 and a molecular weight of 496.45 g/mol. Its IUPAC name is N-methyl-4-[[4-[[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-2-yl]carbamoylamino]phenyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[[4-[[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-2-yl]carbamoylamino]phenyl]methyl]pyridine-2-carboxamide
PubChem CID70304937
Molecular FormulaC24H19F3N6O3
Molecular Weight496.45 g/mol
Exact Mass496.15
IUPAC NameN-methyl-4-[[4-[[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-2-yl]carbamoylamino]phenyl]methyl]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Cc2ccc(NC(=O)Nc3ncc(-c4ccc(C(F)(F)F)nc4)o3)cc2)ccn1
InChIInChI=1S/C24H19F3N6O3/c1-28-21(34)18-11-15(8-9-29-18)10-14-2-5-17(6-3-14)32-22(35)33-23-31-13-19(36-23)16-4-7-20(30-12-16)24(25,26)27/h2-9,11-13H,10H2,1H3,(H,28,34)(H2,31,32,33,35)
InChIKeyPLTHSECSSQOPPS-UHFFFAOYSA-N
XLogP4.74
TPSA122.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.45
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-methyl-4-[[4-[[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-2-yl]carbamoylamino]phenyl]methyl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[4-[[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-2-yl]carbamoylamino]phenyl]methyl]pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[[4-[[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-2-yl]carbamoylamino]phenyl]methyl]pyridine-2-carboxamide (CID 70304937) is N-methyl-4-[[4-[[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-2-yl]carbamoylamino]phenyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[[4-[[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-2-yl]carbamoylamino]phenyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[[4-[[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-2-yl]carbamoylamino]phenyl]methyl]pyridine-2-carboxamide is CNC(=O)c1cc(Cc2ccc(NC(=O)Nc3ncc(-c4ccc(C(F)(F)F)nc4)o3)cc2)ccn1.
What is the InChIKey of N-methyl-4-[[4-[[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-2-yl]carbamoylamino]phenyl]methyl]pyridine-2-carboxamide?
The InChIKey is PLTHSECSSQOPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N6O3/c1-28-21(34)18-11-15(8-9-29-18)10-14-2-5-17(6-3-14)32-22(35)33-23-31-13-19(36-23)16-4-7-20(30-12-16)24(25,26)27/h2-9,11-13H,10H2,1H3,(H,28,34)(H2,31,32,33,35).
What are the key properties of N-methyl-4-[[4-[[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-2-yl]carbamoylamino]phenyl]methyl]pyridine-2-carboxamide?
N-methyl-4-[[4-[[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-2-yl]carbamoylamino]phenyl]methyl]pyridine-2-carboxamide has a molecular weight of 496.45 g/mol, XLogP of 4.74, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[4-[[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-2-yl]carbamoylamino]phenyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 70304937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).