N-[(Z)-[2,2,2-trifluoro-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethylidene]amino]pyridine-3-carboxamide

C18H14F3N5O2 — CID 135411755

IUPACN-[(Z)-[2,2,2-trifluoro-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethylidene]amino]pyridine-3-carboxamide
SMILESCc1[nH]n(-c2ccccc2)c(=O)c1/C(=N/NC(=O)c1cccnc1)C(F)(F)F
InChIInChI=1S/C18H14F3N5O2/c1-11-14(17(28)26(25-11)13-7-3-2-4-8-13)15(18(19,20)21)23-24-16(27)12-6-5-9-22-10-12/h2-10,25H,1H3,(H,24,27)/b23-15-
InChIKeyLQDBUMLLIZABGN-HAHDFKILSA-N
MW389.34 g/mol
LogP2.57
Rot. Bonds4

About N-[(Z)-[2,2,2-trifluoro-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethylidene]amino]pyridine-3-carboxamide

N-[(Z)-[2,2,2-trifluoro-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethylidene]amino]pyridine-3-carboxamide (PubChem CID 135411755) has the molecular formula C18H14F3N5O2 and a molecular weight of 389.34 g/mol. Its IUPAC name is N-[(Z)-[2,2,2-trifluoro-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethylidene]amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[2,2,2-trifluoro-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethylidene]amino]pyridine-3-carboxamide
PubChem CID135411755
Molecular FormulaC18H14F3N5O2
Molecular Weight389.34 g/mol
Exact Mass389.11
IUPAC NameN-[(Z)-[2,2,2-trifluoro-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethylidene]amino]pyridine-3-carboxamide
SMILESCc1[nH]n(-c2ccccc2)c(=O)c1/C(=N/NC(=O)c1cccnc1)C(F)(F)F
InChIInChI=1S/C18H14F3N5O2/c1-11-14(17(28)26(25-11)13-7-3-2-4-8-13)15(18(19,20)21)23-24-16(27)12-6-5-9-22-10-12/h2-10,25H,1H3,(H,24,27)/b23-15-
InChIKeyLQDBUMLLIZABGN-HAHDFKILSA-N
XLogP2.57
TPSA92.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.34
LogP ≤ 52.57
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'}

Analyze N-[(Z)-[2,2,2-trifluoro-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethylidene]amino]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[2,2,2-trifluoro-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethylidene]amino]pyridine-3-carboxamide?
The IUPAC name of N-[(Z)-[2,2,2-trifluoro-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethylidene]amino]pyridine-3-carboxamide (CID 135411755) is N-[(Z)-[2,2,2-trifluoro-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethylidene]amino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(Z)-[2,2,2-trifluoro-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethylidene]amino]pyridine-3-carboxamide?
The canonical SMILES for N-[(Z)-[2,2,2-trifluoro-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethylidene]amino]pyridine-3-carboxamide is Cc1[nH]n(-c2ccccc2)c(=O)c1/C(=N/NC(=O)c1cccnc1)C(F)(F)F.
What is the InChIKey of N-[(Z)-[2,2,2-trifluoro-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethylidene]amino]pyridine-3-carboxamide?
The InChIKey is LQDBUMLLIZABGN-HAHDFKILSA-N. The full InChI is InChI=1S/C18H14F3N5O2/c1-11-14(17(28)26(25-11)13-7-3-2-4-8-13)15(18(19,20)21)23-24-16(27)12-6-5-9-22-10-12/h2-10,25H,1H3,(H,24,27)/b23-15-.
What are the key properties of N-[(Z)-[2,2,2-trifluoro-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethylidene]amino]pyridine-3-carboxamide?
N-[(Z)-[2,2,2-trifluoro-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethylidene]amino]pyridine-3-carboxamide has a molecular weight of 389.34 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[2,2,2-trifluoro-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethylidene]amino]pyridine-3-carboxamide is sourced from PubChem (CID 135411755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).