4-methyl-2-[2-[[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide

C25H28N6O3 — CID 118162383

IUPAC4-methyl-2-[2-[[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide
SMILESCc1ccc(C(N)=O)c(NN=Cc2cc(N3CCOCC3)cc(OCCc3ccccn3)n2)c1
InChIInChI=1S/C25H28N6O3/c1-18-5-6-22(25(26)32)23(14-18)30-28-17-20-15-21(31-9-12-33-13-10-31)16-24(29-20)34-11-7-19-4-2-3-8-27-19/h2-6,8,14-17,30H,7,9-13H2,1H3,(H2,26,32)
InChIKeyFSVGRDAVRGHGBN-UHFFFAOYSA-N
MW460.54 g/mol
LogP2.79
Rot. Bonds9

About 4-methyl-2-[2-[[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide

4-methyl-2-[2-[[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide (PubChem CID 118162383) has the molecular formula C25H28N6O3 and a molecular weight of 460.54 g/mol. Its IUPAC name is 4-methyl-2-[2-[[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide.

Molecular Properties

Compound Name4-methyl-2-[2-[[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide
PubChem CID118162383
Molecular FormulaC25H28N6O3
Molecular Weight460.54 g/mol
Exact Mass460.22
IUPAC Name4-methyl-2-[2-[[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide
SMILESCc1ccc(C(N)=O)c(NN=Cc2cc(N3CCOCC3)cc(OCCc3ccccn3)n2)c1
InChIInChI=1S/C25H28N6O3/c1-18-5-6-22(25(26)32)23(14-18)30-28-17-20-15-21(31-9-12-33-13-10-31)16-24(29-20)34-11-7-19-4-2-3-8-27-19/h2-6,8,14-17,30H,7,9-13H2,1H3,(H2,26,32)
InChIKeyFSVGRDAVRGHGBN-UHFFFAOYSA-N
XLogP2.79
TPSA114.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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 4-methyl-2-[2-[[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide?
The IUPAC name of 4-methyl-2-[2-[[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide (CID 118162383) is 4-methyl-2-[2-[[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide.
What is the SMILES notation for 4-methyl-2-[2-[[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide?
The canonical SMILES for 4-methyl-2-[2-[[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide is Cc1ccc(C(N)=O)c(NN=Cc2cc(N3CCOCC3)cc(OCCc3ccccn3)n2)c1.
What is the InChIKey of 4-methyl-2-[2-[[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide?
The InChIKey is FSVGRDAVRGHGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O3/c1-18-5-6-22(25(26)32)23(14-18)30-28-17-20-15-21(31-9-12-33-13-10-31)16-24(29-20)34-11-7-19-4-2-3-8-27-19/h2-6,8,14-17,30H,7,9-13H2,1H3,(H2,26,32).
What are the key properties of 4-methyl-2-[2-[[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide?
4-methyl-2-[2-[[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide has a molecular weight of 460.54 g/mol, XLogP of 2.79, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-[[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide is sourced from PubChem (CID 118162383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).