N-[2-[4-chloro-3-(trifluoromethyl)phenoxy]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide

C19H19ClF3N3O3 — CID 142503824

IUPACN-[2-[4-chloro-3-(trifluoromethyl)phenoxy]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide
SMILESCCC(=O)Nc1cc(C(=O)NCCOc2ccc(Cl)c(C(F)(F)F)c2)cc(C)n1
InChIInChI=1S/C19H19ClF3N3O3/c1-3-17(27)26-16-9-12(8-11(2)25-16)18(28)24-6-7-29-13-4-5-15(20)14(10-13)19(21,22)23/h4-5,8-10H,3,6-7H2,1-2H3,(H,24,28)(H,25,26,27)
InChIKeyFJHFHBGNURQCIO-UHFFFAOYSA-N
MW429.83 g/mol
LogP4.22
Rot. Bonds7

About N-[2-[4-chloro-3-(trifluoromethyl)phenoxy]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide

N-[2-[4-chloro-3-(trifluoromethyl)phenoxy]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide (PubChem CID 142503824) has the molecular formula C19H19ClF3N3O3 and a molecular weight of 429.83 g/mol. Its IUPAC name is N-[2-[4-chloro-3-(trifluoromethyl)phenoxy]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-chloro-3-(trifluoromethyl)phenoxy]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide
PubChem CID142503824
Molecular FormulaC19H19ClF3N3O3
Molecular Weight429.83 g/mol
Exact Mass429.11
IUPAC NameN-[2-[4-chloro-3-(trifluoromethyl)phenoxy]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide
SMILESCCC(=O)Nc1cc(C(=O)NCCOc2ccc(Cl)c(C(F)(F)F)c2)cc(C)n1
InChIInChI=1S/C19H19ClF3N3O3/c1-3-17(27)26-16-9-12(8-11(2)25-16)18(28)24-6-7-29-13-4-5-15(20)14(10-13)19(21,22)23/h4-5,8-10H,3,6-7H2,1-2H3,(H,24,28)(H,25,26,27)
InChIKeyFJHFHBGNURQCIO-UHFFFAOYSA-N
XLogP4.22
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.83
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-6-(propanoylamino)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyridine-4-carboxamide
CID 142503774
2-acetamido-N-[2-[3-fluoro-4-(trifluoromethoxy)phenoxy]ethyl]-6-methylpyridine-4-carboxamide
CID 137368022
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide
CID 142503751
N-[2-[2-chloro-5-(trifluoromethyl)phenoxy]ethyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 142503885
2-acetamido-N-[2-[2-fluoro-4-(trifluoromethyl)phenoxy]ethyl]-6-methylpyridine-4-carboxamide
CID 142503790
N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide
CID 67511343
2-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 109166847
N-[2-[4-(pentafluoro-λ6-sulfanyl)phenoxy]ethyl]-2-(propanoylamino)pyridine-4-carboxamide
CID 142503798
N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide
CID 67510976
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-6-methyl-2-(propanoylamino)pyrimidine-4-carboxamide
CID 142503835
N-[(1R)-1-[5-(2,2-difluoropropoxy)-2-pyridinyl]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide
CID 162565999
6-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109153089

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-chloro-3-(trifluoromethyl)phenoxy]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide?
The IUPAC name of N-[2-[4-chloro-3-(trifluoromethyl)phenoxy]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide (CID 142503824) is N-[2-[4-chloro-3-(trifluoromethyl)phenoxy]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[4-chloro-3-(trifluoromethyl)phenoxy]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[2-[4-chloro-3-(trifluoromethyl)phenoxy]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide is CCC(=O)Nc1cc(C(=O)NCCOc2ccc(Cl)c(C(F)(F)F)c2)cc(C)n1.
What is the InChIKey of N-[2-[4-chloro-3-(trifluoromethyl)phenoxy]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide?
The InChIKey is FJHFHBGNURQCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3N3O3/c1-3-17(27)26-16-9-12(8-11(2)25-16)18(28)24-6-7-29-13-4-5-15(20)14(10-13)19(21,22)23/h4-5,8-10H,3,6-7H2,1-2H3,(H,24,28)(H,25,26,27).
What are the key properties of N-[2-[4-chloro-3-(trifluoromethyl)phenoxy]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide?
N-[2-[4-chloro-3-(trifluoromethyl)phenoxy]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide has a molecular weight of 429.83 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-chloro-3-(trifluoromethyl)phenoxy]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide is sourced from PubChem (CID 142503824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).