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

C25H20F3N5O3 — CID 70301504

IUPACN-methyl-4-[[4-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]carbamoylamino]phenyl]methyl]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Cc2ccc(NC(=O)Nc3ncc(-c4ccc(C(F)(F)F)cc4)o3)cc2)ccn1
InChIInChI=1S/C25H20F3N5O3/c1-29-22(34)20-13-16(10-11-30-20)12-15-2-8-19(9-3-15)32-23(35)33-24-31-14-21(36-24)17-4-6-18(7-5-17)25(26,27)28/h2-11,13-14H,12H2,1H3,(H,29,34)(H2,31,32,33,35)
InChIKeyCRFQQSRREBEFHE-UHFFFAOYSA-N
MW495.46 g/mol
LogP5.35
Rot. Bonds6

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

N-methyl-4-[[4-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]carbamoylamino]phenyl]methyl]pyridine-2-carboxamide (PubChem CID 70301504) has the molecular formula C25H20F3N5O3 and a molecular weight of 495.46 g/mol. Its IUPAC name is N-methyl-4-[[4-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]carbamoylamino]phenyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[[4-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]carbamoylamino]phenyl]methyl]pyridine-2-carboxamide
PubChem CID70301504
Molecular FormulaC25H20F3N5O3
Molecular Weight495.46 g/mol
Exact Mass495.15
IUPAC NameN-methyl-4-[[4-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]carbamoylamino]phenyl]methyl]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Cc2ccc(NC(=O)Nc3ncc(-c4ccc(C(F)(F)F)cc4)o3)cc2)ccn1
InChIInChI=1S/C25H20F3N5O3/c1-29-22(34)20-13-16(10-11-30-20)12-15-2-8-19(9-3-15)32-23(35)33-24-31-14-21(36-24)17-4-6-18(7-5-17)25(26,27)28/h2-11,13-14H,12H2,1H3,(H,29,34)(H2,31,32,33,35)
InChIKeyCRFQQSRREBEFHE-UHFFFAOYSA-N
XLogP5.35
TPSA109.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.46
LogP ≤ 55.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[4-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]carbamoylamino]phenyl]methyl]pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[[4-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]carbamoylamino]phenyl]methyl]pyridine-2-carboxamide (CID 70301504) is N-methyl-4-[[4-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]carbamoylamino]phenyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[[4-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]carbamoylamino]phenyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[[4-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]carbamoylamino]phenyl]methyl]pyridine-2-carboxamide is CNC(=O)c1cc(Cc2ccc(NC(=O)Nc3ncc(-c4ccc(C(F)(F)F)cc4)o3)cc2)ccn1.
What is the InChIKey of N-methyl-4-[[4-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]carbamoylamino]phenyl]methyl]pyridine-2-carboxamide?
The InChIKey is CRFQQSRREBEFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N5O3/c1-29-22(34)20-13-16(10-11-30-20)12-15-2-8-19(9-3-15)32-23(35)33-24-31-14-21(36-24)17-4-6-18(7-5-17)25(26,27)28/h2-11,13-14H,12H2,1H3,(H,29,34)(H2,31,32,33,35).
What are the key properties of N-methyl-4-[[4-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]carbamoylamino]phenyl]methyl]pyridine-2-carboxamide?
N-methyl-4-[[4-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]carbamoylamino]phenyl]methyl]pyridine-2-carboxamide has a molecular weight of 495.46 g/mol, XLogP of 5.35, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[4-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]carbamoylamino]phenyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 70301504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).