N-[(2,4-dimethoxyphenyl)methyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide

C17H17F3N2O4 — CID 2727047

IUPACN-[(2,4-dimethoxyphenyl)methyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnc(OC)cc2C(F)(F)F)c(OC)c1
InChIInChI=1S/C17H17F3N2O4/c1-24-11-5-4-10(14(6-11)25-2)8-22-16(23)12-9-21-15(26-3)7-13(12)17(18,19)20/h4-7,9H,8H2,1-3H3,(H,22,23)
InChIKeyKGUCVQRCNBKMGC-UHFFFAOYSA-N
MW370.33 g/mol
LogP3.06
Rot. Bonds6

About N-[(2,4-dimethoxyphenyl)methyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide

N-[(2,4-dimethoxyphenyl)methyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 2727047) has the molecular formula C17H17F3N2O4 and a molecular weight of 370.33 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID2727047
Molecular FormulaC17H17F3N2O4
Molecular Weight370.33 g/mol
Exact Mass370.11
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnc(OC)cc2C(F)(F)F)c(OC)c1
InChIInChI=1S/C17H17F3N2O4/c1-24-11-5-4-10(14(6-11)25-2)8-22-16(23)12-9-21-15(26-3)7-13(12)17(18,19)20/h4-7,9H,8H2,1-3H3,(H,22,23)
InChIKeyKGUCVQRCNBKMGC-UHFFFAOYSA-N
XLogP3.06
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2,4-dimethoxyphenyl)methyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-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 N-[(2,4-dimethoxyphenyl)methyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide (CID 2727047) is N-[(2,4-dimethoxyphenyl)methyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide is COc1ccc(CNC(=O)c2cnc(OC)cc2C(F)(F)F)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is KGUCVQRCNBKMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O4/c1-24-11-5-4-10(14(6-11)25-2)8-22-16(23)12-9-21-15(26-3)7-13(12)17(18,19)20/h4-7,9H,8H2,1-3H3,(H,22,23).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide?
N-[(2,4-dimethoxyphenyl)methyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 370.33 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 2727047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).