2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-5-carboxamide

C13H11F3N4O — CID 118378317

IUPAC2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NCc2cc(C(F)(F)F)ccn2)cn1
InChIInChI=1S/C13H11F3N4O/c1-8-18-5-9(6-19-8)12(21)20-7-11-4-10(2-3-17-11)13(14,15)16/h2-6H,7H2,1H3,(H,20,21)
InChIKeyGSICWRQWFGXGPF-UHFFFAOYSA-N
MW296.25 g/mol
LogP2.13
Rot. Bonds3

About 2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-5-carboxamide

2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-5-carboxamide (PubChem CID 118378317) has the molecular formula C13H11F3N4O and a molecular weight of 296.25 g/mol. Its IUPAC name is 2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-5-carboxamide
PubChem CID118378317
Molecular FormulaC13H11F3N4O
Molecular Weight296.25 g/mol
Exact Mass296.09
IUPAC Name2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NCc2cc(C(F)(F)F)ccn2)cn1
InChIInChI=1S/C13H11F3N4O/c1-8-18-5-9(6-19-8)12(21)20-7-11-4-10(2-3-17-11)13(14,15)16/h2-6H,7H2,1H3,(H,20,21)
InChIKeyGSICWRQWFGXGPF-UHFFFAOYSA-N
XLogP2.13
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-5-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 2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-5-carboxamide (CID 118378317) is 2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-5-carboxamide is Cc1ncc(C(=O)NCc2cc(C(F)(F)F)ccn2)cn1.
What is the InChIKey of 2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-5-carboxamide?
The InChIKey is GSICWRQWFGXGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N4O/c1-8-18-5-9(6-19-8)12(21)20-7-11-4-10(2-3-17-11)13(14,15)16/h2-6H,7H2,1H3,(H,20,21).
What are the key properties of 2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-5-carboxamide?
2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-5-carboxamide has a molecular weight of 296.25 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 118378317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).