[(Z)-[amino-[4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]methylidene]amino] N-ethylcarbamate

C17H17F3N4O3 — CID 6174918

IUPAC[(Z)-[amino-[4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]methylidene]amino] N-ethylcarbamate
SMILESCCNC(=O)O/N=C(\N)c1ccc(Cn2cc(C(F)(F)F)ccc2=O)cc1
InChIInChI=1S/C17H17F3N4O3/c1-2-22-16(26)27-23-15(21)12-5-3-11(4-6-12)9-24-10-13(17(18,19)20)7-8-14(24)25/h3-8,10H,2,9H2,1H3,(H2,21,23)(H,22,26)
InChIKeyCJNGCZFPNBTAHI-UHFFFAOYSA-N
MW382.34 g/mol
LogP2.28
Rot. Bonds5

About [(Z)-[amino-[4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]methylidene]amino] N-ethylcarbamate

[(Z)-[amino-[4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]methylidene]amino] N-ethylcarbamate (PubChem CID 6174918) has the molecular formula C17H17F3N4O3 and a molecular weight of 382.34 g/mol. Its IUPAC name is [(Z)-[amino-[4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]methylidene]amino] N-ethylcarbamate.

Molecular Properties

Compound Name[(Z)-[amino-[4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]methylidene]amino] N-ethylcarbamate
PubChem CID6174918
Molecular FormulaC17H17F3N4O3
Molecular Weight382.34 g/mol
Exact Mass382.13
IUPAC Name[(Z)-[amino-[4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]methylidene]amino] N-ethylcarbamate
SMILESCCNC(=O)O/N=C(\N)c1ccc(Cn2cc(C(F)(F)F)ccc2=O)cc1
InChIInChI=1S/C17H17F3N4O3/c1-2-22-16(26)27-23-15(21)12-5-3-11(4-6-12)9-24-10-13(17(18,19)20)7-8-14(24)25/h3-8,10H,2,9H2,1H3,(H2,21,23)(H,22,26)
InChIKeyCJNGCZFPNBTAHI-UHFFFAOYSA-N
XLogP2.28
TPSA98.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(Z)-[amino-[4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]methylidene]amino] N-ethylcarbamate 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 [(Z)-[amino-[4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]methylidene]amino] N-ethylcarbamate?
The IUPAC name of [(Z)-[amino-[4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]methylidene]amino] N-ethylcarbamate (CID 6174918) is [(Z)-[amino-[4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]methylidene]amino] N-ethylcarbamate.
What is the SMILES notation for [(Z)-[amino-[4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]methylidene]amino] N-ethylcarbamate?
The canonical SMILES for [(Z)-[amino-[4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]methylidene]amino] N-ethylcarbamate is CCNC(=O)O/N=C(\N)c1ccc(Cn2cc(C(F)(F)F)ccc2=O)cc1.
What is the InChIKey of [(Z)-[amino-[4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]methylidene]amino] N-ethylcarbamate?
The InChIKey is CJNGCZFPNBTAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O3/c1-2-22-16(26)27-23-15(21)12-5-3-11(4-6-12)9-24-10-13(17(18,19)20)7-8-14(24)25/h3-8,10H,2,9H2,1H3,(H2,21,23)(H,22,26).
What are the key properties of [(Z)-[amino-[4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]methylidene]amino] N-ethylcarbamate?
[(Z)-[amino-[4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]methylidene]amino] N-ethylcarbamate has a molecular weight of 382.34 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[amino-[4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]methylidene]amino] N-ethylcarbamate is sourced from PubChem (CID 6174918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).