N-(2-methoxyethyl)-4-(2,3,4-trifluoroanilino)pyridine-2-carboxamide

C15H14F3N3O2 — CID 109205837

IUPACN-(2-methoxyethyl)-4-(2,3,4-trifluoroanilino)pyridine-2-carboxamide
SMILESCOCCNC(=O)c1cc(Nc2ccc(F)c(F)c2F)ccn1
InChIInChI=1S/C15H14F3N3O2/c1-23-7-6-20-15(22)12-8-9(4-5-19-12)21-11-3-2-10(16)13(17)14(11)18/h2-5,8H,6-7H2,1H3,(H,19,21)(H,20,22)
InChIKeyQNHPVZSCFUPDHN-UHFFFAOYSA-N
MW325.29 g/mol
LogP2.62
Rot. Bonds6

About N-(2-methoxyethyl)-4-(2,3,4-trifluoroanilino)pyridine-2-carboxamide

N-(2-methoxyethyl)-4-(2,3,4-trifluoroanilino)pyridine-2-carboxamide (PubChem CID 109205837) has the molecular formula C15H14F3N3O2 and a molecular weight of 325.29 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-(2,3,4-trifluoroanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-(2,3,4-trifluoroanilino)pyridine-2-carboxamide
PubChem CID109205837
Molecular FormulaC15H14F3N3O2
Molecular Weight325.29 g/mol
Exact Mass325.10
IUPAC NameN-(2-methoxyethyl)-4-(2,3,4-trifluoroanilino)pyridine-2-carboxamide
SMILESCOCCNC(=O)c1cc(Nc2ccc(F)c(F)c2F)ccn1
InChIInChI=1S/C15H14F3N3O2/c1-23-7-6-20-15(22)12-8-9(4-5-19-12)21-11-3-2-10(16)13(17)14(11)18/h2-5,8H,6-7H2,1H3,(H,19,21)(H,20,22)
InChIKeyQNHPVZSCFUPDHN-UHFFFAOYSA-N
XLogP2.62
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-butan-2-yl-4-(2,3,4-trifluoroanilino)pyridine-2-carboxamide
CID 109203420
4-(3-fluoroanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109205806
N-[(2-chlorophenyl)methyl]-4-(2,3,4-trifluoroanilino)pyridine-2-carboxamide
CID 109211690
4-[(2-fluorophenyl)methylamino]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109205673
4-(4-bromo-2-methylanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109206176
N-(2-methoxyethyl)-4-(2-methylpropylamino)pyridine-2-carboxamide
CID 109203048
4-(2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109221903
4-(2,4-difluoroanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109222592
4-(3-chloro-4-methoxyanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109205769
N-butyl-4-(2,4-difluoroanilino)pyridine-2-carboxamide
CID 109202632
4-(2-bromo-4-methylanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109206175
4-(2,4-dichloroanilino)-N-propylpyridine-2-carboxamide
CID 109201162

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-(2,3,4-trifluoroanilino)pyridine-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-4-(2,3,4-trifluoroanilino)pyridine-2-carboxamide (CID 109205837) is N-(2-methoxyethyl)-4-(2,3,4-trifluoroanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-(2,3,4-trifluoroanilino)pyridine-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-4-(2,3,4-trifluoroanilino)pyridine-2-carboxamide is COCCNC(=O)c1cc(Nc2ccc(F)c(F)c2F)ccn1.
What is the InChIKey of N-(2-methoxyethyl)-4-(2,3,4-trifluoroanilino)pyridine-2-carboxamide?
The InChIKey is QNHPVZSCFUPDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O2/c1-23-7-6-20-15(22)12-8-9(4-5-19-12)21-11-3-2-10(16)13(17)14(11)18/h2-5,8H,6-7H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-(2-methoxyethyl)-4-(2,3,4-trifluoroanilino)pyridine-2-carboxamide?
N-(2-methoxyethyl)-4-(2,3,4-trifluoroanilino)pyridine-2-carboxamide has a molecular weight of 325.29 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-(2,3,4-trifluoroanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109205837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).