N-ethyl-6-[4-(4-fluorophenoxy)phenyl]-4-methoxy-N',N'-dimethylpyridine-2-carbohydrazide

C23H24FN3O3 — CID 68527403

IUPACN-ethyl-6-[4-(4-fluorophenoxy)phenyl]-4-methoxy-N',N'-dimethylpyridine-2-carbohydrazide
SMILESCCN(C(=O)c1cc(OC)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1)N(C)C
InChIInChI=1S/C23H24FN3O3/c1-5-27(26(2)3)23(28)22-15-20(29-4)14-21(25-22)16-6-10-18(11-7-16)30-19-12-8-17(24)9-13-19/h6-15H,5H2,1-4H3
InChIKeyNSLHDXLIFADCLQ-UHFFFAOYSA-N
MW409.46 g/mol
LogP4.63
Rot. Bonds7

About N-ethyl-6-[4-(4-fluorophenoxy)phenyl]-4-methoxy-N',N'-dimethylpyridine-2-carbohydrazide

N-ethyl-6-[4-(4-fluorophenoxy)phenyl]-4-methoxy-N',N'-dimethylpyridine-2-carbohydrazide (PubChem CID 68527403) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is N-ethyl-6-[4-(4-fluorophenoxy)phenyl]-4-methoxy-N',N'-dimethylpyridine-2-carbohydrazide.

Molecular Properties

Compound NameN-ethyl-6-[4-(4-fluorophenoxy)phenyl]-4-methoxy-N',N'-dimethylpyridine-2-carbohydrazide
PubChem CID68527403
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC NameN-ethyl-6-[4-(4-fluorophenoxy)phenyl]-4-methoxy-N',N'-dimethylpyridine-2-carbohydrazide
SMILESCCN(C(=O)c1cc(OC)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1)N(C)C
InChIInChI=1S/C23H24FN3O3/c1-5-27(26(2)3)23(28)22-15-20(29-4)14-21(25-22)16-6-10-18(11-7-16)30-19-12-8-17(24)9-13-19/h6-15H,5H2,1-4H3
InChIKeyNSLHDXLIFADCLQ-UHFFFAOYSA-N
XLogP4.63
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 54.63
H-Bond Donors ≤ 50
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-ethyl-6-[4-(4-fluorophenoxy)phenyl]-4-methoxy-N',N'-dimethylpyridine-2-carbohydrazide?
The IUPAC name of N-ethyl-6-[4-(4-fluorophenoxy)phenyl]-4-methoxy-N',N'-dimethylpyridine-2-carbohydrazide (CID 68527403) is N-ethyl-6-[4-(4-fluorophenoxy)phenyl]-4-methoxy-N',N'-dimethylpyridine-2-carbohydrazide.
What is the SMILES notation for N-ethyl-6-[4-(4-fluorophenoxy)phenyl]-4-methoxy-N',N'-dimethylpyridine-2-carbohydrazide?
The canonical SMILES for N-ethyl-6-[4-(4-fluorophenoxy)phenyl]-4-methoxy-N',N'-dimethylpyridine-2-carbohydrazide is CCN(C(=O)c1cc(OC)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1)N(C)C.
What is the InChIKey of N-ethyl-6-[4-(4-fluorophenoxy)phenyl]-4-methoxy-N',N'-dimethylpyridine-2-carbohydrazide?
The InChIKey is NSLHDXLIFADCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3/c1-5-27(26(2)3)23(28)22-15-20(29-4)14-21(25-22)16-6-10-18(11-7-16)30-19-12-8-17(24)9-13-19/h6-15H,5H2,1-4H3.
What are the key properties of N-ethyl-6-[4-(4-fluorophenoxy)phenyl]-4-methoxy-N',N'-dimethylpyridine-2-carbohydrazide?
N-ethyl-6-[4-(4-fluorophenoxy)phenyl]-4-methoxy-N',N'-dimethylpyridine-2-carbohydrazide has a molecular weight of 409.46 g/mol, XLogP of 4.63, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[4-(4-fluorophenoxy)phenyl]-4-methoxy-N',N'-dimethylpyridine-2-carbohydrazide is sourced from PubChem (CID 68527403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).