propan-2-yl 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate

C18H19F3N2O3 — CID 71523888

IUPACpropan-2-yl 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate
SMILESCOc1ccc(N(C)c2nc(C(F)(F)F)ccc2C(=O)OC(C)C)cc1
InChIInChI=1S/C18H19F3N2O3/c1-11(2)26-17(24)14-9-10-15(18(19,20)21)22-16(14)23(3)12-5-7-13(25-4)8-6-12/h5-11H,1-4H3
InChIKeyTXCVMSYLVHKCEI-UHFFFAOYSA-N
MW368.36 g/mol
LogP4.44
Rot. Bonds5

About propan-2-yl 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate

propan-2-yl 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 71523888) has the molecular formula C18H19F3N2O3 and a molecular weight of 368.36 g/mol. Its IUPAC name is propan-2-yl 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate
PubChem CID71523888
Molecular FormulaC18H19F3N2O3
Molecular Weight368.36 g/mol
Exact Mass368.13
IUPAC Namepropan-2-yl 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate
SMILESCOc1ccc(N(C)c2nc(C(F)(F)F)ccc2C(=O)OC(C)C)cc1
InChIInChI=1S/C18H19F3N2O3/c1-11(2)26-17(24)14-9-10-15(18(19,20)21)22-16(14)23(3)12-5-7-13(25-4)8-6-12/h5-11H,1-4H3
InChIKeyTXCVMSYLVHKCEI-UHFFFAOYSA-N
XLogP4.44
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze propan-2-yl 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate 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

methyl 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 71523844
ethyl 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 71523887
methyl 2-(4-methoxy-N-methylanilino)-5-(trifluoromethyl)pyridine-3-carboxylate
CID 122505030
2-[methyl(propan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79869003
N,2-dimethyl-N-propan-2-yl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 69435136
propan-2-yl 2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-methylamino]propanoate
CID 133367282
2-[butan-2-yl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79868936
propan-2-yl 2-hydroxy-5-methoxybenzoate
CID 60731005
2-propan-2-yloxy-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79877639
propan-2-yl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 18098378
propan-2-yl 2-chloro-4-(trifluoromethoxy)benzoate
CID 133054468
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 31908536

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate?
The IUPAC name of propan-2-yl 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate (CID 71523888) is propan-2-yl 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for propan-2-yl 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for propan-2-yl 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate is COc1ccc(N(C)c2nc(C(F)(F)F)ccc2C(=O)OC(C)C)cc1.
What is the InChIKey of propan-2-yl 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate?
The InChIKey is TXCVMSYLVHKCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O3/c1-11(2)26-17(24)14-9-10-15(18(19,20)21)22-16(14)23(3)12-5-7-13(25-4)8-6-12/h5-11H,1-4H3.
What are the key properties of propan-2-yl 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate?
propan-2-yl 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate has a molecular weight of 368.36 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 71523888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).