3-[2-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide

C23H30N6O4 — CID 66682180

IUPAC3-[2-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide
SMILESNC(=O)c1cccc(NN=Cc2cc(N3CCOCC3)cc(OCCN3CCOCC3)n2)c1
InChIInChI=1S/C23H30N6O4/c24-23(30)18-2-1-3-19(14-18)27-25-17-20-15-21(29-7-11-32-12-8-29)16-22(26-20)33-13-6-28-4-9-31-10-5-28/h1-3,14-17,27H,4-13H2,(H2,24,30)
InChIKeyKYEJMFJXYTXMFT-UHFFFAOYSA-N
MW454.53 g/mol
LogP1.17
Rot. Bonds9

About 3-[2-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide

3-[2-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide (PubChem CID 66682180) has the molecular formula C23H30N6O4 and a molecular weight of 454.53 g/mol. Its IUPAC name is 3-[2-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide.

Molecular Properties

Compound Name3-[2-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide
PubChem CID66682180
Molecular FormulaC23H30N6O4
Molecular Weight454.53 g/mol
Exact Mass454.23
IUPAC Name3-[2-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide
SMILESNC(=O)c1cccc(NN=Cc2cc(N3CCOCC3)cc(OCCN3CCOCC3)n2)c1
InChIInChI=1S/C23H30N6O4/c24-23(30)18-2-1-3-19(14-18)27-25-17-20-15-21(29-7-11-32-12-8-29)16-22(26-20)33-13-6-28-4-9-31-10-5-28/h1-3,14-17,27H,4-13H2,(H2,24,30)
InChIKeyKYEJMFJXYTXMFT-UHFFFAOYSA-N
XLogP1.17
TPSA114.54 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[2-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide with MolForge

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Related Compounds

3-[2-[[6-(2-hydroxy-2-methylpropoxy)-4-morpholin-4-yl-2-pyridinyl]methylidene]hydrazinyl]benzamide
CID 66648377
3-[(2E)-2-[[4-(dipropylamino)-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide
CID 89163631
3,4-dimethyl-N-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylideneamino]aniline
CID 66648014
3-[2-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methylidene]hydrazinyl]benzamide
CID 66682604
3-[(2E)-2-[[6-[2-(methylamino)ethoxy]-4-morpholin-4-yl-2-pyridinyl]methylidene]hydrazinyl]benzamide;3-[(2E)-2-[[2-[2-(methylamino)ethoxy]-6-morpholin-4-ylpyrimidin-4-yl]methylidene]hydrazinyl]benzamide;3-[(2E)-2-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide;3-[(2E)-2-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methylidene]hydrazinyl]benzamide;3-[(2E)-2-[[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide;3-[(2E)-2-[[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylidene]hydrazinyl]benzamide
CID 172984251
3-[2-[[6-(2-hydroxy-2-methylpropoxy)-2-morpholin-4-ylpyrimidin-4-yl]methylidene]hydrazinyl]benzamide
CID 66648290
3-(hydroxymethyl)-5-[[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]hydrazinylidene]methyl]benzamide
CID 66684026
3-[(2E)-2-[[2-(2-hydroxy-2-methylpropoxy)-6-morpholin-4-ylpyrimidin-4-yl]methylidene]hydrazinyl]benzamide
CID 11395875
3-[(E)-C-[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]carbonohydrazonoyl]benzoic acid
CID 87105215
4-methyl-2-[2-[[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide
CID 118162383
N-[(E)-(4,5-dimethyl-2-pyridinyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine
CID 59673923
N-[(E)-(2-amino-5-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine
CID 11328144

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide?
The IUPAC name of 3-[2-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide (CID 66682180) is 3-[2-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide.
What is the SMILES notation for 3-[2-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide?
The canonical SMILES for 3-[2-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide is NC(=O)c1cccc(NN=Cc2cc(N3CCOCC3)cc(OCCN3CCOCC3)n2)c1.
What is the InChIKey of 3-[2-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide?
The InChIKey is KYEJMFJXYTXMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O4/c24-23(30)18-2-1-3-19(14-18)27-25-17-20-15-21(29-7-11-32-12-8-29)16-22(26-20)33-13-6-28-4-9-31-10-5-28/h1-3,14-17,27H,4-13H2,(H2,24,30).
What are the key properties of 3-[2-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide?
3-[2-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide has a molecular weight of 454.53 g/mol, XLogP of 1.17, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide is sourced from PubChem (CID 66682180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).