2-anilino-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide

C18H14F3N5O2 — CID 134556564

IUPAC2-anilino-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide
SMILESO=C(Nc1cnccc1OCC(F)(F)F)c1ccnc(Nc2ccccc2)n1
InChIInChI=1S/C18H14F3N5O2/c19-18(20,21)11-28-15-7-8-22-10-14(15)25-16(27)13-6-9-23-17(26-13)24-12-4-2-1-3-5-12/h1-10H,11H2,(H,25,27)(H,23,24,26)
InChIKeyPTABJNPXSUGRKA-UHFFFAOYSA-N
MW389.34 g/mol
LogP3.81
Rot. Bonds6

About 2-anilino-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide

2-anilino-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide (PubChem CID 134556564) has the molecular formula C18H14F3N5O2 and a molecular weight of 389.34 g/mol. Its IUPAC name is 2-anilino-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-anilino-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide
PubChem CID134556564
Molecular FormulaC18H14F3N5O2
Molecular Weight389.34 g/mol
Exact Mass389.11
IUPAC Name2-anilino-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide
SMILESO=C(Nc1cnccc1OCC(F)(F)F)c1ccnc(Nc2ccccc2)n1
InChIInChI=1S/C18H14F3N5O2/c19-18(20,21)11-28-15-7-8-22-10-14(15)25-16(27)13-6-9-23-17(26-13)24-12-4-2-1-3-5-12/h1-10H,11H2,(H,25,27)(H,23,24,26)
InChIKeyPTABJNPXSUGRKA-UHFFFAOYSA-N
XLogP3.81
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.34
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-anilino-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-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-anilino-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-anilino-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide (CID 134556564) is 2-anilino-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-anilino-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-anilino-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide is O=C(Nc1cnccc1OCC(F)(F)F)c1ccnc(Nc2ccccc2)n1.
What is the InChIKey of 2-anilino-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide?
The InChIKey is PTABJNPXSUGRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N5O2/c19-18(20,21)11-28-15-7-8-22-10-14(15)25-16(27)13-6-9-23-17(26-13)24-12-4-2-1-3-5-12/h1-10H,11H2,(H,25,27)(H,23,24,26).
What are the key properties of 2-anilino-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide?
2-anilino-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide has a molecular weight of 389.34 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 134556564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).