N'-(3-methyl-1-benzofuran-2-carbonyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide

C18H14F3N3O4 — CID 24607749

IUPACN'-(3-methyl-1-benzofuran-2-carbonyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)c2ccc(OCC(F)(F)F)nc2)oc2ccccc12
InChIInChI=1S/C18H14F3N3O4/c1-10-12-4-2-3-5-13(12)28-15(10)17(26)24-23-16(25)11-6-7-14(22-8-11)27-9-18(19,20)21/h2-8H,9H2,1H3,(H,23,25)(H,24,26)
InChIKeyNZPIMGNTYOXKJK-UHFFFAOYSA-N
MW393.32 g/mol
LogP3.15
Rot. Bonds4

About N'-(3-methyl-1-benzofuran-2-carbonyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide

N'-(3-methyl-1-benzofuran-2-carbonyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide (PubChem CID 24607749) has the molecular formula C18H14F3N3O4 and a molecular weight of 393.32 g/mol. Its IUPAC name is N'-(3-methyl-1-benzofuran-2-carbonyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(3-methyl-1-benzofuran-2-carbonyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide
PubChem CID24607749
Molecular FormulaC18H14F3N3O4
Molecular Weight393.32 g/mol
Exact Mass393.09
IUPAC NameN'-(3-methyl-1-benzofuran-2-carbonyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)c2ccc(OCC(F)(F)F)nc2)oc2ccccc12
InChIInChI=1S/C18H14F3N3O4/c1-10-12-4-2-3-5-13(12)28-15(10)17(26)24-23-16(25)11-6-7-14(22-8-11)27-9-18(19,20)21/h2-8H,9H2,1H3,(H,23,25)(H,24,26)
InChIKeyNZPIMGNTYOXKJK-UHFFFAOYSA-N
XLogP3.15
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.32
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(3-methyl-1-benzofuran-2-carbonyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide?
The IUPAC name of N'-(3-methyl-1-benzofuran-2-carbonyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide (CID 24607749) is N'-(3-methyl-1-benzofuran-2-carbonyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide.
What is the SMILES notation for N'-(3-methyl-1-benzofuran-2-carbonyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide?
The canonical SMILES for N'-(3-methyl-1-benzofuran-2-carbonyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide is Cc1c(C(=O)NNC(=O)c2ccc(OCC(F)(F)F)nc2)oc2ccccc12.
What is the InChIKey of N'-(3-methyl-1-benzofuran-2-carbonyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide?
The InChIKey is NZPIMGNTYOXKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O4/c1-10-12-4-2-3-5-13(12)28-15(10)17(26)24-23-16(25)11-6-7-14(22-8-11)27-9-18(19,20)21/h2-8H,9H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N'-(3-methyl-1-benzofuran-2-carbonyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide?
N'-(3-methyl-1-benzofuran-2-carbonyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide has a molecular weight of 393.32 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methyl-1-benzofuran-2-carbonyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide is sourced from PubChem (CID 24607749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).