5-[4-chloro-2-(trifluoromethyl)anilino]-N-(3-methoxypropyl)pyridine-2-carboxamide

C17H17ClF3N3O2 — CID 109184357

IUPAC5-[4-chloro-2-(trifluoromethyl)anilino]-N-(3-methoxypropyl)pyridine-2-carboxamide
SMILESCOCCCNC(=O)c1ccc(Nc2ccc(Cl)cc2C(F)(F)F)cn1
InChIInChI=1S/C17H17ClF3N3O2/c1-26-8-2-7-22-16(25)15-6-4-12(10-23-15)24-14-5-3-11(18)9-13(14)17(19,20)21/h3-6,9-10,24H,2,7-8H2,1H3,(H,22,25)
InChIKeyLQKGAHLFWCWCCP-UHFFFAOYSA-N
MW387.79 g/mol
LogP4.26
Rot. Bonds7

About 5-[4-chloro-2-(trifluoromethyl)anilino]-N-(3-methoxypropyl)pyridine-2-carboxamide

5-[4-chloro-2-(trifluoromethyl)anilino]-N-(3-methoxypropyl)pyridine-2-carboxamide (PubChem CID 109184357) has the molecular formula C17H17ClF3N3O2 and a molecular weight of 387.79 g/mol. Its IUPAC name is 5-[4-chloro-2-(trifluoromethyl)anilino]-N-(3-methoxypropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-chloro-2-(trifluoromethyl)anilino]-N-(3-methoxypropyl)pyridine-2-carboxamide
PubChem CID109184357
Molecular FormulaC17H17ClF3N3O2
Molecular Weight387.79 g/mol
Exact Mass387.10
IUPAC Name5-[4-chloro-2-(trifluoromethyl)anilino]-N-(3-methoxypropyl)pyridine-2-carboxamide
SMILESCOCCCNC(=O)c1ccc(Nc2ccc(Cl)cc2C(F)(F)F)cn1
InChIInChI=1S/C17H17ClF3N3O2/c1-26-8-2-7-22-16(25)15-6-4-12(10-23-15)24-14-5-3-11(18)9-13(14)17(19,20)21/h3-6,9-10,24H,2,7-8H2,1H3,(H,22,25)
InChIKeyLQKGAHLFWCWCCP-UHFFFAOYSA-N
XLogP4.26
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.79
LogP ≤ 54.26
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

N-(3-methoxypropyl)-5-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109184195
N-butyl-4-[4-chloro-2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109202636
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179811
5-(4-chloro-2,5-dimethoxyanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184365
5-[2-chloro-5-(trifluoromethyl)anilino]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183964
5-[4-chloro-2-(trifluoromethyl)anilino]-N-propylpyrazine-2-carboxamide
CID 109270933
5-(tert-butylamino)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109195266
5-(4-bromoanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184307
5-(3-chloro-4-methoxyanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184305
N-(5-chloro-2-methylphenyl)-5-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109184481
5-(2-fluoroanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183927
N-butyl-6-[4-chloro-2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109340173

Frequently Asked Questions

What is the IUPAC name of 5-[4-chloro-2-(trifluoromethyl)anilino]-N-(3-methoxypropyl)pyridine-2-carboxamide?
The IUPAC name of 5-[4-chloro-2-(trifluoromethyl)anilino]-N-(3-methoxypropyl)pyridine-2-carboxamide (CID 109184357) is 5-[4-chloro-2-(trifluoromethyl)anilino]-N-(3-methoxypropyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[4-chloro-2-(trifluoromethyl)anilino]-N-(3-methoxypropyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[4-chloro-2-(trifluoromethyl)anilino]-N-(3-methoxypropyl)pyridine-2-carboxamide is COCCCNC(=O)c1ccc(Nc2ccc(Cl)cc2C(F)(F)F)cn1.
What is the InChIKey of 5-[4-chloro-2-(trifluoromethyl)anilino]-N-(3-methoxypropyl)pyridine-2-carboxamide?
The InChIKey is LQKGAHLFWCWCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF3N3O2/c1-26-8-2-7-22-16(25)15-6-4-12(10-23-15)24-14-5-3-11(18)9-13(14)17(19,20)21/h3-6,9-10,24H,2,7-8H2,1H3,(H,22,25).
What are the key properties of 5-[4-chloro-2-(trifluoromethyl)anilino]-N-(3-methoxypropyl)pyridine-2-carboxamide?
5-[4-chloro-2-(trifluoromethyl)anilino]-N-(3-methoxypropyl)pyridine-2-carboxamide has a molecular weight of 387.79 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-chloro-2-(trifluoromethyl)anilino]-N-(3-methoxypropyl)pyridine-2-carboxamide is sourced from PubChem (CID 109184357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).