2-[4-chloro-2-(trifluoromethoxy)phenoxy]-6-methyl-4-(pentan-3-ylamino)pyridine-3-carboxamide

C19H21ClF3N3O3 — CID 10296429

IUPAC2-[4-chloro-2-(trifluoromethoxy)phenoxy]-6-methyl-4-(pentan-3-ylamino)pyridine-3-carboxamide
SMILESCCC(CC)Nc1cc(C)nc(Oc2ccc(Cl)cc2OC(F)(F)F)c1C(N)=O
InChIInChI=1S/C19H21ClF3N3O3/c1-4-12(5-2)26-13-8-10(3)25-18(16(13)17(24)27)28-14-7-6-11(20)9-15(14)29-19(21,22)23/h6-9,12H,4-5H2,1-3H3,(H2,24,27)(H,25,26)
InChIKeyJLGFGKMKPSXEQE-UHFFFAOYSA-N
MW431.84 g/mol
LogP5.43
Rot. Bonds8

About 2-[4-chloro-2-(trifluoromethoxy)phenoxy]-6-methyl-4-(pentan-3-ylamino)pyridine-3-carboxamide

2-[4-chloro-2-(trifluoromethoxy)phenoxy]-6-methyl-4-(pentan-3-ylamino)pyridine-3-carboxamide (PubChem CID 10296429) has the molecular formula C19H21ClF3N3O3 and a molecular weight of 431.84 g/mol. Its IUPAC name is 2-[4-chloro-2-(trifluoromethoxy)phenoxy]-6-methyl-4-(pentan-3-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-chloro-2-(trifluoromethoxy)phenoxy]-6-methyl-4-(pentan-3-ylamino)pyridine-3-carboxamide
PubChem CID10296429
Molecular FormulaC19H21ClF3N3O3
Molecular Weight431.84 g/mol
Exact Mass431.12
IUPAC Name2-[4-chloro-2-(trifluoromethoxy)phenoxy]-6-methyl-4-(pentan-3-ylamino)pyridine-3-carboxamide
SMILESCCC(CC)Nc1cc(C)nc(Oc2ccc(Cl)cc2OC(F)(F)F)c1C(N)=O
InChIInChI=1S/C19H21ClF3N3O3/c1-4-12(5-2)26-13-8-10(3)25-18(16(13)17(24)27)28-14-7-6-11(20)9-15(14)29-19(21,22)23/h6-9,12H,4-5H2,1-3H3,(H2,24,27)(H,25,26)
InChIKeyJLGFGKMKPSXEQE-UHFFFAOYSA-N
XLogP5.43
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.84
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-chloro-2-(trifluoromethoxy)phenoxy]-6-methyl-4-(pentan-3-ylamino)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 2-[4-chloro-2-(trifluoromethoxy)phenoxy]-6-methyl-4-(pentan-3-ylamino)pyridine-3-carboxamide?
The IUPAC name of 2-[4-chloro-2-(trifluoromethoxy)phenoxy]-6-methyl-4-(pentan-3-ylamino)pyridine-3-carboxamide (CID 10296429) is 2-[4-chloro-2-(trifluoromethoxy)phenoxy]-6-methyl-4-(pentan-3-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-chloro-2-(trifluoromethoxy)phenoxy]-6-methyl-4-(pentan-3-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 2-[4-chloro-2-(trifluoromethoxy)phenoxy]-6-methyl-4-(pentan-3-ylamino)pyridine-3-carboxamide is CCC(CC)Nc1cc(C)nc(Oc2ccc(Cl)cc2OC(F)(F)F)c1C(N)=O.
What is the InChIKey of 2-[4-chloro-2-(trifluoromethoxy)phenoxy]-6-methyl-4-(pentan-3-ylamino)pyridine-3-carboxamide?
The InChIKey is JLGFGKMKPSXEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClF3N3O3/c1-4-12(5-2)26-13-8-10(3)25-18(16(13)17(24)27)28-14-7-6-11(20)9-15(14)29-19(21,22)23/h6-9,12H,4-5H2,1-3H3,(H2,24,27)(H,25,26).
What are the key properties of 2-[4-chloro-2-(trifluoromethoxy)phenoxy]-6-methyl-4-(pentan-3-ylamino)pyridine-3-carboxamide?
2-[4-chloro-2-(trifluoromethoxy)phenoxy]-6-methyl-4-(pentan-3-ylamino)pyridine-3-carboxamide has a molecular weight of 431.84 g/mol, XLogP of 5.43, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-(trifluoromethoxy)phenoxy]-6-methyl-4-(pentan-3-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 10296429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).