N-[(E)-[1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-ylidene]amino]pyridine-4-carboxamide

C16H13F3N4O2 — CID 164619167

IUPACN-[(E)-[1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-ylidene]amino]pyridine-4-carboxamide
SMILESC/C(=N\NC(=O)c1ccncc1)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H13F3N4O2/c1-10(22-23-15(25)11-6-8-20-9-7-11)14(24)21-13-4-2-12(3-5-13)16(17,18)19/h2-9H,1H3,(H,21,24)(H,23,25)/b22-10+
InChIKeyDAMLJGANZOIXRU-LSHDLFTRSA-N
MW350.30 g/mol
LogP2.84
Rot. Bonds4

About N-[(E)-[1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-ylidene]amino]pyridine-4-carboxamide

N-[(E)-[1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-ylidene]amino]pyridine-4-carboxamide (PubChem CID 164619167) has the molecular formula C16H13F3N4O2 and a molecular weight of 350.30 g/mol. Its IUPAC name is N-[(E)-[1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-ylidene]amino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-[1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-ylidene]amino]pyridine-4-carboxamide
PubChem CID164619167
Molecular FormulaC16H13F3N4O2
Molecular Weight350.30 g/mol
Exact Mass350.10
IUPAC NameN-[(E)-[1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-ylidene]amino]pyridine-4-carboxamide
SMILESC/C(=N\NC(=O)c1ccncc1)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H13F3N4O2/c1-10(22-23-15(25)11-6-8-20-9-7-11)14(24)21-13-4-2-12(3-5-13)16(17,18)19/h2-9H,1H3,(H,21,24)(H,23,25)/b22-10+
InChIKeyDAMLJGANZOIXRU-LSHDLFTRSA-N
XLogP2.84
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-ylidene]amino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-[1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-ylidene]amino]pyridine-4-carboxamide (CID 164619167) is N-[(E)-[1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-ylidene]amino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-[1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-ylidene]amino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-[1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-ylidene]amino]pyridine-4-carboxamide is C/C(=N\NC(=O)c1ccncc1)C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(E)-[1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-ylidene]amino]pyridine-4-carboxamide?
The InChIKey is DAMLJGANZOIXRU-LSHDLFTRSA-N. The full InChI is InChI=1S/C16H13F3N4O2/c1-10(22-23-15(25)11-6-8-20-9-7-11)14(24)21-13-4-2-12(3-5-13)16(17,18)19/h2-9H,1H3,(H,21,24)(H,23,25)/b22-10+.
What are the key properties of N-[(E)-[1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-ylidene]amino]pyridine-4-carboxamide?
N-[(E)-[1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-ylidene]amino]pyridine-4-carboxamide has a molecular weight of 350.30 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-ylidene]amino]pyridine-4-carboxamide is sourced from PubChem (CID 164619167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).