4-(4-aminophenoxy)-3-(2-phenylacetyl)pyridine-2-carbohydrazide

C20H18N4O3 — CID 141370087

IUPAC4-(4-aminophenoxy)-3-(2-phenylacetyl)pyridine-2-carbohydrazide
SMILESNNC(=O)c1nccc(Oc2ccc(N)cc2)c1C(=O)Cc1ccccc1
InChIInChI=1S/C20H18N4O3/c21-14-6-8-15(9-7-14)27-17-10-11-23-19(20(26)24-22)18(17)16(25)12-13-4-2-1-3-5-13/h1-11H,12,21-22H2,(H,24,26)
InChIKeyQTOSSWODKZGXFY-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.48
Rot. Bonds6

About 4-(4-aminophenoxy)-3-(2-phenylacetyl)pyridine-2-carbohydrazide

4-(4-aminophenoxy)-3-(2-phenylacetyl)pyridine-2-carbohydrazide (PubChem CID 141370087) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is 4-(4-aminophenoxy)-3-(2-phenylacetyl)pyridine-2-carbohydrazide.

Molecular Properties

Compound Name4-(4-aminophenoxy)-3-(2-phenylacetyl)pyridine-2-carbohydrazide
PubChem CID141370087
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name4-(4-aminophenoxy)-3-(2-phenylacetyl)pyridine-2-carbohydrazide
SMILESNNC(=O)c1nccc(Oc2ccc(N)cc2)c1C(=O)Cc1ccccc1
InChIInChI=1S/C20H18N4O3/c21-14-6-8-15(9-7-14)27-17-10-11-23-19(20(26)24-22)18(17)16(25)12-13-4-2-1-3-5-13/h1-11H,12,21-22H2,(H,24,26)
InChIKeyQTOSSWODKZGXFY-UHFFFAOYSA-N
XLogP2.48
TPSA120.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 4-(4-aminophenoxy)-3-(2-phenylacetyl)pyridine-2-carbohydrazide?
The IUPAC name of 4-(4-aminophenoxy)-3-(2-phenylacetyl)pyridine-2-carbohydrazide (CID 141370087) is 4-(4-aminophenoxy)-3-(2-phenylacetyl)pyridine-2-carbohydrazide.
What is the SMILES notation for 4-(4-aminophenoxy)-3-(2-phenylacetyl)pyridine-2-carbohydrazide?
The canonical SMILES for 4-(4-aminophenoxy)-3-(2-phenylacetyl)pyridine-2-carbohydrazide is NNC(=O)c1nccc(Oc2ccc(N)cc2)c1C(=O)Cc1ccccc1.
What is the InChIKey of 4-(4-aminophenoxy)-3-(2-phenylacetyl)pyridine-2-carbohydrazide?
The InChIKey is QTOSSWODKZGXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c21-14-6-8-15(9-7-14)27-17-10-11-23-19(20(26)24-22)18(17)16(25)12-13-4-2-1-3-5-13/h1-11H,12,21-22H2,(H,24,26).
What are the key properties of 4-(4-aminophenoxy)-3-(2-phenylacetyl)pyridine-2-carbohydrazide?
4-(4-aminophenoxy)-3-(2-phenylacetyl)pyridine-2-carbohydrazide has a molecular weight of 362.39 g/mol, XLogP of 2.48, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenoxy)-3-(2-phenylacetyl)pyridine-2-carbohydrazide is sourced from PubChem (CID 141370087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).