N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(propylamino)-6-(trifluoromethyl)pyridine-3-carboxamide

C18H19F3N4O2 — CID 134138229

IUPACN-[(E)-(4-methoxyphenyl)methylideneamino]-2-(propylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCCNc1nc(C(F)(F)F)ccc1C(=O)N/N=C/c1ccc(OC)cc1
InChIInChI=1S/C18H19F3N4O2/c1-3-10-22-16-14(8-9-15(24-16)18(19,20)21)17(26)25-23-11-12-4-6-13(27-2)7-5-12/h4-9,11H,3,10H2,1-2H3,(H,22,24)(H,25,26)/b23-11+
InChIKeyDSCJTKDQYVJEBM-FOKLQQMPSA-N
MW380.37 g/mol
LogP3.69
Rot. Bonds7

About N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(propylamino)-6-(trifluoromethyl)pyridine-3-carboxamide

N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(propylamino)-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 134138229) has the molecular formula C18H19F3N4O2 and a molecular weight of 380.37 g/mol. Its IUPAC name is N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(propylamino)-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-methoxyphenyl)methylideneamino]-2-(propylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID134138229
Molecular FormulaC18H19F3N4O2
Molecular Weight380.37 g/mol
Exact Mass380.15
IUPAC NameN-[(E)-(4-methoxyphenyl)methylideneamino]-2-(propylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCCNc1nc(C(F)(F)F)ccc1C(=O)N/N=C/c1ccc(OC)cc1
InChIInChI=1S/C18H19F3N4O2/c1-3-10-22-16-14(8-9-15(24-16)18(19,20)21)17(26)25-23-11-12-4-6-13(27-2)7-5-12/h4-9,11H,3,10H2,1-2H3,(H,22,24)(H,25,26)/b23-11+
InChIKeyDSCJTKDQYVJEBM-FOKLQQMPSA-N
XLogP3.69
TPSA75.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(2-Methoxy-benzoyl)-hydrazono]-N-pyridin-2-yl-butyramide
CID 9591626
6-(4-methoxyphenethylamino)-N-(2-aminophenyl)nicotinamide
CID 10270022
1-ethyl-N~3~-(4-methoxyphenethyl)-7-methyl-4-oxo-1,4-dihydro[1,8]naphthyridine-3-carboxamide
CID 2470993
N-{1-({2-[(4-methoxyphenyl)methylene]hydrazino}carbonyl)-2-[(4-methyl-2-pyrimidinyl)amino]vinyl}benzenecarboxamide
CID 9582023
N-cyclohexyl-1-[(4-methoxyphenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 16086909
7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid 4-methoxy-benzylamide
CID 44403630
7-(3-Fluoro-4-methoxyphenyl)-5-(2-methoxyethylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one
CID 66959886
3-methyl-2-[4-(trifluoromethoxy)phenyl]-1H-1,8-naphthyridin-4-one
CID 70685786
N-[[4-(difluoromethoxy)phenyl]methyl]-1-ethyl-N,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 8194972
2-(5-chloro-2-methoxyanilino)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 45028725
N-[(E)-(3-hydroxyphenyl)methylideneamino]-6-(trifluoromethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 45028833
1-Ethyl-7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid 4-methoxy-benzylamide
CID 1073145

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(propylamino)-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(propylamino)-6-(trifluoromethyl)pyridine-3-carboxamide (CID 134138229) is N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(propylamino)-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(propylamino)-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(propylamino)-6-(trifluoromethyl)pyridine-3-carboxamide is CCCNc1nc(C(F)(F)F)ccc1C(=O)N/N=C/c1ccc(OC)cc1.
What is the InChIKey of N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(propylamino)-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is DSCJTKDQYVJEBM-FOKLQQMPSA-N. The full InChI is InChI=1S/C18H19F3N4O2/c1-3-10-22-16-14(8-9-15(24-16)18(19,20)21)17(26)25-23-11-12-4-6-13(27-2)7-5-12/h4-9,11H,3,10H2,1-2H3,(H,22,24)(H,25,26)/b23-11+.
What are the key properties of N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(propylamino)-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(propylamino)-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 380.37 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(propylamino)-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 134138229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).