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

C17H18F3N3O2 — CID 109228132

IUPACN-(3-methoxypropyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESCOCCCNC(=O)c1cncc(Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C17H18F3N3O2/c1-25-8-2-7-22-16(24)12-9-15(11-21-10-12)23-14-5-3-13(4-6-14)17(18,19)20/h3-6,9-11,23H,2,7-8H2,1H3,(H,22,24)
InChIKeyFQPOEDRSXKXRLD-UHFFFAOYSA-N
MW353.34 g/mol
LogP3.61
Rot. Bonds7

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

N-(3-methoxypropyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide (PubChem CID 109228132) has the molecular formula C17H18F3N3O2 and a molecular weight of 353.34 g/mol. Its IUPAC name is N-(3-methoxypropyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
PubChem CID109228132
Molecular FormulaC17H18F3N3O2
Molecular Weight353.34 g/mol
Exact Mass353.14
IUPAC NameN-(3-methoxypropyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESCOCCCNC(=O)c1cncc(Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C17H18F3N3O2/c1-25-8-2-7-22-16(24)12-9-15(11-21-10-12)23-14-5-3-13(4-6-14)17(18,19)20/h3-6,9-11,23H,2,7-8H2,1H3,(H,22,24)
InChIKeyFQPOEDRSXKXRLD-UHFFFAOYSA-N
XLogP3.61
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 53.61
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

3-N-(3-methoxypropyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 109103680
5-(3,4-difluoroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228185
5-(3,4-dimethylanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228089
methyl 3-[[5-(3-methoxypropylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109228138
5-anilino-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227713
N-butyl-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109224479
N-(3-methoxypropyl)-5-(pentylamino)pyridine-3-carboxamide
CID 109228070
5-(4-tert-butylanilino)-N-propylpyridine-3-carboxamide
CID 109222873
N-(4-acetylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109245760
5-N-(4-fluorophenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
CID 109103654
N-(3-methoxypropyl)-6-methyl-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109324146
5-(2,4-dichloroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228170

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide (CID 109228132) is N-(3-methoxypropyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide is COCCCNC(=O)c1cncc(Nc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of N-(3-methoxypropyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The InChIKey is FQPOEDRSXKXRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O2/c1-25-8-2-7-22-16(24)12-9-15(11-21-10-12)23-14-5-3-13(4-6-14)17(18,19)20/h3-6,9-11,23H,2,7-8H2,1H3,(H,22,24).
What are the key properties of N-(3-methoxypropyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide?
N-(3-methoxypropyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide has a molecular weight of 353.34 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 109228132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).