N-(2-amino-2-oxoethyl)-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide

C20H15F3N4O3 — CID 11258549

IUPACN-(2-amino-2-oxoethyl)-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide
SMILESNC(=O)CNC(=O)c1nccc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)n1
InChIInChI=1S/C20H15F3N4O3/c21-20(22,23)30-16-7-2-1-6-14(16)12-4-3-5-13(10-12)15-8-9-25-18(27-15)19(29)26-11-17(24)28/h1-10H,11H2,(H2,24,28)(H,26,29)
InChIKeyAZBNUUCMODCSIP-UHFFFAOYSA-N
MW416.36 g/mol
LogP2.92
Rot. Bonds6

About N-(2-amino-2-oxoethyl)-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide

N-(2-amino-2-oxoethyl)-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide (PubChem CID 11258549) has the molecular formula C20H15F3N4O3 and a molecular weight of 416.36 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide
PubChem CID11258549
Molecular FormulaC20H15F3N4O3
Molecular Weight416.36 g/mol
Exact Mass416.11
IUPAC NameN-(2-amino-2-oxoethyl)-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide
SMILESNC(=O)CNC(=O)c1nccc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)n1
InChIInChI=1S/C20H15F3N4O3/c21-20(22,23)30-16-7-2-1-6-14(16)12-4-3-5-13(10-12)15-8-9-25-18(27-15)19(29)26-11-17(24)28/h1-10H,11H2,(H2,24,28)(H,26,29)
InChIKeyAZBNUUCMODCSIP-UHFFFAOYSA-N
XLogP2.92
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.36
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-1-amino-1-oxopropan-2-yl]-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide
CID 11270358
4-amino-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide
CID 11360822
4-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]pyrimidine-2-carboxamide
CID 58774782
methyl 6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-2-carboxylate
CID 11394687
N-methylsulfonyl-N-[4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidin-2-yl]methanesulfonamide
CID 11190977
4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole-2-carboxamide
CID 11371458
5-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide
CID 11291743
4-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
CID 134627368
[2-oxo-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]ethyl] acetate
CID 58832520
5-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine
CID 11209672
[3-[2-(trifluoromethoxy)phenyl]phenyl]hydrazine
CID 154827771
5-N-ethyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3,5-dicarboxamide
CID 53322585

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide (CID 11258549) is N-(2-amino-2-oxoethyl)-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide is NC(=O)CNC(=O)c1nccc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)n1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide?
The InChIKey is AZBNUUCMODCSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O3/c21-20(22,23)30-16-7-2-1-6-14(16)12-4-3-5-13(10-12)15-8-9-25-18(27-15)19(29)26-11-17(24)28/h1-10H,11H2,(H2,24,28)(H,26,29).
What are the key properties of N-(2-amino-2-oxoethyl)-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide?
N-(2-amino-2-oxoethyl)-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide has a molecular weight of 416.36 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide is sourced from PubChem (CID 11258549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).