6-methyl-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]pyridine-3-carboxamide

C19H14F3N3O2 — CID 6862833

IUPAC6-methyl-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)cn1
InChIInChI=1S/C19H14F3N3O2/c1-12-5-6-14(10-23-12)18(26)25-24-11-16-7-8-17(27-16)13-3-2-4-15(9-13)19(20,21)22/h2-11H,1H3,(H,25,26)/b24-11+
InChIKeyQATLAOQMVQMMNA-BHGWPJFGSA-N
MW373.33 g/mol
LogP4.43
Rot. Bonds4

About 6-methyl-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]pyridine-3-carboxamide

6-methyl-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]pyridine-3-carboxamide (PubChem CID 6862833) has the molecular formula C19H14F3N3O2 and a molecular weight of 373.33 g/mol. Its IUPAC name is 6-methyl-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]pyridine-3-carboxamide
PubChem CID6862833
Molecular FormulaC19H14F3N3O2
Molecular Weight373.33 g/mol
Exact Mass373.10
IUPAC Name6-methyl-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)cn1
InChIInChI=1S/C19H14F3N3O2/c1-12-5-6-14(10-23-12)18(26)25-24-11-16-7-8-17(27-16)13-3-2-4-15(9-13)19(20,21)22/h2-11H,1H3,(H,25,26)/b24-11+
InChIKeyQATLAOQMVQMMNA-BHGWPJFGSA-N
XLogP4.43
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 54.43
H-Bond Donors ≤ 51
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 6-methyl-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]pyridine-3-carboxamide (CID 6862833) is 6-methyl-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]pyridine-3-carboxamide is Cc1ccc(C(=O)N/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)cn1.
What is the InChIKey of 6-methyl-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]pyridine-3-carboxamide?
The InChIKey is QATLAOQMVQMMNA-BHGWPJFGSA-N. The full InChI is InChI=1S/C19H14F3N3O2/c1-12-5-6-14(10-23-12)18(26)25-24-11-16-7-8-17(27-16)13-3-2-4-15(9-13)19(20,21)22/h2-11H,1H3,(H,25,26)/b24-11+.
What are the key properties of 6-methyl-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]pyridine-3-carboxamide?
6-methyl-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]pyridine-3-carboxamide has a molecular weight of 373.33 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 6862833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).