3-amino-6-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)-5-(trifluoromethyl)pyridine-2-carboxamide

C11H11F6N3O3 — CID 58442360

IUPAC3-amino-6-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1nc(C(=O)NCC(O)C(F)(F)F)c(N)cc1C(F)(F)F
InChIInChI=1S/C11H11F6N3O3/c1-23-9-4(10(12,13)14)2-5(18)7(20-9)8(22)19-3-6(21)11(15,16)17/h2,6,21H,3,18H2,1H3,(H,19,22)
InChIKeySGMQDTWKBCOQTJ-UHFFFAOYSA-N
MW347.22 g/mol
LogP1.34
Rot. Bonds4

About 3-amino-6-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)-5-(trifluoromethyl)pyridine-2-carboxamide

3-amino-6-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 58442360) has the molecular formula C11H11F6N3O3 and a molecular weight of 347.22 g/mol. Its IUPAC name is 3-amino-6-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID58442360
Molecular FormulaC11H11F6N3O3
Molecular Weight347.22 g/mol
Exact Mass347.07
IUPAC Name3-amino-6-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1nc(C(=O)NCC(O)C(F)(F)F)c(N)cc1C(F)(F)F
InChIInChI=1S/C11H11F6N3O3/c1-23-9-4(10(12,13)14)2-5(18)7(20-9)8(22)19-3-6(21)11(15,16)17/h2,6,21H,3,18H2,1H3,(H,19,22)
InChIKeySGMQDTWKBCOQTJ-UHFFFAOYSA-N
XLogP1.34
TPSA97.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-amino-6-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)-5-(trifluoromethyl)pyridine-2-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 3-amino-6-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)-5-(trifluoromethyl)pyridine-2-carboxamide (CID 58442360) is 3-amino-6-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)-5-(trifluoromethyl)pyridine-2-carboxamide is COc1nc(C(=O)NCC(O)C(F)(F)F)c(N)cc1C(F)(F)F.
What is the InChIKey of 3-amino-6-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is SGMQDTWKBCOQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F6N3O3/c1-23-9-4(10(12,13)14)2-5(18)7(20-9)8(22)19-3-6(21)11(15,16)17/h2,6,21H,3,18H2,1H3,(H,19,22).
What are the key properties of 3-amino-6-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
3-amino-6-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 347.22 g/mol, XLogP of 1.34, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 58442360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).