2-(3-methoxyanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide

C18H13F3N4O2 — CID 109317648

IUPAC2-(3-methoxyanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
SMILESCOc1cccc(Nc2nccc(C(=O)Nc3ccc(F)c(F)c3F)n2)c1
InChIInChI=1S/C18H13F3N4O2/c1-27-11-4-2-3-10(9-11)23-18-22-8-7-14(25-18)17(26)24-13-6-5-12(19)15(20)16(13)21/h2-9H,1H3,(H,24,26)(H,22,23,25)
InChIKeyXNJJABRIJLYIPB-UHFFFAOYSA-N
MW374.32 g/mol
LogP3.90
Rot. Bonds5

About 2-(3-methoxyanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide

2-(3-methoxyanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide (PubChem CID 109317648) has the molecular formula C18H13F3N4O2 and a molecular weight of 374.32 g/mol. Its IUPAC name is 2-(3-methoxyanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3-methoxyanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
PubChem CID109317648
Molecular FormulaC18H13F3N4O2
Molecular Weight374.32 g/mol
Exact Mass374.10
IUPAC Name2-(3-methoxyanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
SMILESCOc1cccc(Nc2nccc(C(=O)Nc3ccc(F)c(F)c3F)n2)c1
InChIInChI=1S/C18H13F3N4O2/c1-27-11-4-2-3-10(9-11)23-18-22-8-7-14(25-18)17(26)24-13-6-5-12(19)15(20)16(13)21/h2-9H,1H3,(H,24,26)(H,22,23,25)
InChIKeyXNJJABRIJLYIPB-UHFFFAOYSA-N
XLogP3.90
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.32
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-(3-methoxyanilino)-N-(2,3,4-trifluorophenyl)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

Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109317470
2-(3-methoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313540
N-(3,5-dimethylphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109315201
N-(4-cyanophenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109317646
N-[(4-fluorophenyl)methyl]-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109305700
N-(3-chloro-4-methylphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109317290
2-(2-ethylanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide
CID 109315540
2-(3-methoxyanilino)-N-propylpyrimidine-4-carboxamide
CID 109295051
N-(2,4-dichlorophenyl)-4-(3-methoxyanilino)pyridine-2-carboxamide
CID 109221628
2-(2,4-dimethoxyanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109317564
N-benzyl-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109303842
N-(2,4-difluorophenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109317538

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(3-methoxyanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide (CID 109317648) is 2-(3-methoxyanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3-methoxyanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(3-methoxyanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide is COc1cccc(Nc2nccc(C(=O)Nc3ccc(F)c(F)c3F)n2)c1.
What is the InChIKey of 2-(3-methoxyanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide?
The InChIKey is XNJJABRIJLYIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O2/c1-27-11-4-2-3-10(9-11)23-18-22-8-7-14(25-18)17(26)24-13-6-5-12(19)15(20)16(13)21/h2-9H,1H3,(H,24,26)(H,22,23,25).
What are the key properties of 2-(3-methoxyanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide?
2-(3-methoxyanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide has a molecular weight of 374.32 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109317648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).