1-ethyl-3-[5-[5-(hydrazinecarbonyl)-3-pyridinyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]urea

C22H20N8O3 — CID 67289083

IUPAC1-ethyl-3-[5-[5-(hydrazinecarbonyl)-3-pyridinyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]urea
SMILESCCNC(=O)Nc1cc(-c2nnc(-c3ccccc3)o2)c(-c2cncc(C(=O)NN)c2)cn1
InChIInChI=1S/C22H20N8O3/c1-2-25-22(32)27-18-9-16(21-30-29-20(33-21)13-6-4-3-5-7-13)17(12-26-18)14-8-15(11-24-10-14)19(31)28-23/h3-12H,2,23H2,1H3,(H,28,31)(H2,25,26,27,32)
InChIKeyHSEWLWSGXRGCMN-UHFFFAOYSA-N
MW444.46 g/mol
LogP2.61
Rot. Bonds6

About 1-ethyl-3-[5-[5-(hydrazinecarbonyl)-3-pyridinyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]urea

1-ethyl-3-[5-[5-(hydrazinecarbonyl)-3-pyridinyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]urea (PubChem CID 67289083) has the molecular formula C22H20N8O3 and a molecular weight of 444.46 g/mol. Its IUPAC name is 1-ethyl-3-[5-[5-(hydrazinecarbonyl)-3-pyridinyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[5-[5-(hydrazinecarbonyl)-3-pyridinyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]urea
PubChem CID67289083
Molecular FormulaC22H20N8O3
Molecular Weight444.46 g/mol
Exact Mass444.17
IUPAC Name1-ethyl-3-[5-[5-(hydrazinecarbonyl)-3-pyridinyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]urea
SMILESCCNC(=O)Nc1cc(-c2nnc(-c3ccccc3)o2)c(-c2cncc(C(=O)NN)c2)cn1
InChIInChI=1S/C22H20N8O3/c1-2-25-22(32)27-18-9-16(21-30-29-20(33-21)13-6-4-3-5-7-13)17(12-26-18)14-8-15(11-24-10-14)19(31)28-23/h3-12H,2,23H2,1H3,(H,28,31)(H2,25,26,27,32)
InChIKeyHSEWLWSGXRGCMN-UHFFFAOYSA-N
XLogP2.61
TPSA160.95 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.46
LogP ≤ 52.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-ethyl-3-[5-[5-(hydrazinecarbonyl)-3-pyridinyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]urea 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 1-ethyl-3-[5-[5-(hydrazinecarbonyl)-3-pyridinyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]urea?
The IUPAC name of 1-ethyl-3-[5-[5-(hydrazinecarbonyl)-3-pyridinyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]urea (CID 67289083) is 1-ethyl-3-[5-[5-(hydrazinecarbonyl)-3-pyridinyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]urea.
What is the SMILES notation for 1-ethyl-3-[5-[5-(hydrazinecarbonyl)-3-pyridinyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]urea?
The canonical SMILES for 1-ethyl-3-[5-[5-(hydrazinecarbonyl)-3-pyridinyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]urea is CCNC(=O)Nc1cc(-c2nnc(-c3ccccc3)o2)c(-c2cncc(C(=O)NN)c2)cn1.
What is the InChIKey of 1-ethyl-3-[5-[5-(hydrazinecarbonyl)-3-pyridinyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]urea?
The InChIKey is HSEWLWSGXRGCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N8O3/c1-2-25-22(32)27-18-9-16(21-30-29-20(33-21)13-6-4-3-5-7-13)17(12-26-18)14-8-15(11-24-10-14)19(31)28-23/h3-12H,2,23H2,1H3,(H,28,31)(H2,25,26,27,32).
What are the key properties of 1-ethyl-3-[5-[5-(hydrazinecarbonyl)-3-pyridinyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]urea?
1-ethyl-3-[5-[5-(hydrazinecarbonyl)-3-pyridinyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]urea has a molecular weight of 444.46 g/mol, XLogP of 2.61, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[5-[5-(hydrazinecarbonyl)-3-pyridinyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]urea is sourced from PubChem (CID 67289083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).