methyl 2-(cyclopropylmethylamino)-6-(3-fluoro-4-methylphenyl)-4-(trifluoromethyl)pyridine-3-carboxylate

C19H18F4N2O2 — CID 59487394

IUPACmethyl 2-(cyclopropylmethylamino)-6-(3-fluoro-4-methylphenyl)-4-(trifluoromethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1c(C(F)(F)F)cc(-c2ccc(C)c(F)c2)nc1NCC1CC1
InChIInChI=1S/C19H18F4N2O2/c1-10-3-6-12(7-14(10)20)15-8-13(19(21,22)23)16(18(26)27-2)17(25-15)24-9-11-4-5-11/h3,6-8,11H,4-5,9H2,1-2H3,(H,24,25)
InChIKeyZHYQDVBBMHXEPE-UHFFFAOYSA-N
MW382.36 g/mol
LogP4.82
Rot. Bonds5

About methyl 2-(cyclopropylmethylamino)-6-(3-fluoro-4-methylphenyl)-4-(trifluoromethyl)pyridine-3-carboxylate

methyl 2-(cyclopropylmethylamino)-6-(3-fluoro-4-methylphenyl)-4-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 59487394) has the molecular formula C19H18F4N2O2 and a molecular weight of 382.36 g/mol. Its IUPAC name is methyl 2-(cyclopropylmethylamino)-6-(3-fluoro-4-methylphenyl)-4-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylmethylamino)-6-(3-fluoro-4-methylphenyl)-4-(trifluoromethyl)pyridine-3-carboxylate
PubChem CID59487394
Molecular FormulaC19H18F4N2O2
Molecular Weight382.36 g/mol
Exact Mass382.13
IUPAC Namemethyl 2-(cyclopropylmethylamino)-6-(3-fluoro-4-methylphenyl)-4-(trifluoromethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1c(C(F)(F)F)cc(-c2ccc(C)c(F)c2)nc1NCC1CC1
InChIInChI=1S/C19H18F4N2O2/c1-10-3-6-12(7-14(10)20)15-8-13(19(21,22)23)16(18(26)27-2)17(25-15)24-9-11-4-5-11/h3,6-8,11H,4-5,9H2,1-2H3,(H,24,25)
InChIKeyZHYQDVBBMHXEPE-UHFFFAOYSA-N
XLogP4.82
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.36
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-(cyclopropylmethylamino)-6-(3-fluoro-4-methylphenyl)-4-(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

CID 3393240
CID 3393240
CID 3644194
CID 3644194
CID 3841301
CID 3841301
CID 3706946
CID 3706946
CID 122516883
CID 122516883
CID 132253101
CID 132253101
CID 974021
CID 974021
CID 155816686
CID 155816686
CID 25110782
CID 25110782
CID 25110783
CID 25110783
CID 25110891
CID 25110891
CID 25110892
CID 25110892

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylmethylamino)-6-(3-fluoro-4-methylphenyl)-4-(trifluoromethyl)pyridine-3-carboxylate?
The IUPAC name of methyl 2-(cyclopropylmethylamino)-6-(3-fluoro-4-methylphenyl)-4-(trifluoromethyl)pyridine-3-carboxylate (CID 59487394) is methyl 2-(cyclopropylmethylamino)-6-(3-fluoro-4-methylphenyl)-4-(trifluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(cyclopropylmethylamino)-6-(3-fluoro-4-methylphenyl)-4-(trifluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(cyclopropylmethylamino)-6-(3-fluoro-4-methylphenyl)-4-(trifluoromethyl)pyridine-3-carboxylate is COC(=O)c1c(C(F)(F)F)cc(-c2ccc(C)c(F)c2)nc1NCC1CC1.
What is the InChIKey of methyl 2-(cyclopropylmethylamino)-6-(3-fluoro-4-methylphenyl)-4-(trifluoromethyl)pyridine-3-carboxylate?
The InChIKey is ZHYQDVBBMHXEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F4N2O2/c1-10-3-6-12(7-14(10)20)15-8-13(19(21,22)23)16(18(26)27-2)17(25-15)24-9-11-4-5-11/h3,6-8,11H,4-5,9H2,1-2H3,(H,24,25).
What are the key properties of methyl 2-(cyclopropylmethylamino)-6-(3-fluoro-4-methylphenyl)-4-(trifluoromethyl)pyridine-3-carboxylate?
methyl 2-(cyclopropylmethylamino)-6-(3-fluoro-4-methylphenyl)-4-(trifluoromethyl)pyridine-3-carboxylate has a molecular weight of 382.36 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylmethylamino)-6-(3-fluoro-4-methylphenyl)-4-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 59487394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).