N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrimidine-5-carboxamide

C20H15F3N4O2 — CID 44560546

IUPACN-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrimidine-5-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1cncnc1
InChIInChI=1S/C20H15F3N4O2/c1-12-5-6-13(7-17(12)27-19(29)14-9-24-11-25-10-14)18(28)26-16-4-2-3-15(8-16)20(21,22)23/h2-11H,1H3,(H,26,28)(H,27,29)
InChIKeySJHUSHHZUDUTHB-UHFFFAOYSA-N
MW400.36 g/mol
LogP4.31
Rot. Bonds4

About N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrimidine-5-carboxamide

N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrimidine-5-carboxamide (PubChem CID 44560546) has the molecular formula C20H15F3N4O2 and a molecular weight of 400.36 g/mol. Its IUPAC name is N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrimidine-5-carboxamide
PubChem CID44560546
Molecular FormulaC20H15F3N4O2
Molecular Weight400.36 g/mol
Exact Mass400.11
IUPAC NameN-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrimidine-5-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1cncnc1
InChIInChI=1S/C20H15F3N4O2/c1-12-5-6-13(7-17(12)27-19(29)14-9-24-11-25-10-14)18(28)26-16-4-2-3-15(8-16)20(21,22)23/h2-11H,1H3,(H,26,28)(H,27,29)
InChIKeySJHUSHHZUDUTHB-UHFFFAOYSA-N
XLogP4.31
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.36
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrimidine-5-carboxamide?
The IUPAC name of N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrimidine-5-carboxamide (CID 44560546) is N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrimidine-5-carboxamide is Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1cncnc1.
What is the InChIKey of N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrimidine-5-carboxamide?
The InChIKey is SJHUSHHZUDUTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O2/c1-12-5-6-13(7-17(12)27-19(29)14-9-24-11-25-10-14)18(28)26-16-4-2-3-15(8-16)20(21,22)23/h2-11H,1H3,(H,26,28)(H,27,29).
What are the key properties of N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrimidine-5-carboxamide?
N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrimidine-5-carboxamide has a molecular weight of 400.36 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 44560546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).