3-[2-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methylidene]hydrazinyl]benzamide

C23H31N7O3 — CID 66682604

IUPAC3-[2-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methylidene]hydrazinyl]benzamide
SMILESNC(=O)c1cccc(NN=Cc2cc(N3CCOCC3)nc(OCCN3CCCCC3)n2)c1
InChIInChI=1S/C23H31N7O3/c24-22(31)18-5-4-6-19(15-18)28-25-17-20-16-21(30-10-12-32-13-11-30)27-23(26-20)33-14-9-29-7-2-1-3-8-29/h4-6,15-17,28H,1-3,7-14H2,(H2,24,31)
InChIKeyCGLXJRIIOCPNCP-UHFFFAOYSA-N
MW453.55 g/mol
LogP1.72
Rot. Bonds9

About 3-[2-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methylidene]hydrazinyl]benzamide

3-[2-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methylidene]hydrazinyl]benzamide (PubChem CID 66682604) has the molecular formula C23H31N7O3 and a molecular weight of 453.55 g/mol. Its IUPAC name is 3-[2-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methylidene]hydrazinyl]benzamide.

Molecular Properties

Compound Name3-[2-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methylidene]hydrazinyl]benzamide
PubChem CID66682604
Molecular FormulaC23H31N7O3
Molecular Weight453.55 g/mol
Exact Mass453.25
IUPAC Name3-[2-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methylidene]hydrazinyl]benzamide
SMILESNC(=O)c1cccc(NN=Cc2cc(N3CCOCC3)nc(OCCN3CCCCC3)n2)c1
InChIInChI=1S/C23H31N7O3/c24-22(31)18-5-4-6-19(15-18)28-25-17-20-16-21(30-10-12-32-13-11-30)27-23(26-20)33-14-9-29-7-2-1-3-8-29/h4-6,15-17,28H,1-3,7-14H2,(H2,24,31)
InChIKeyCGLXJRIIOCPNCP-UHFFFAOYSA-N
XLogP1.72
TPSA118.20 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 51.72
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-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methylidene]hydrazinyl]benzamide with MolForge

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Related Compounds

3-[(2E)-2-[[2-(2-hydroxy-2-methylpropoxy)-6-morpholin-4-ylpyrimidin-4-yl]methylidene]hydrazinyl]benzamide
CID 11395875
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-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide
CID 66682180
3-[(2E)-2-[[4-(dipropylamino)-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide
CID 89163631
3-[2-[4-[[(3-methylphenyl)hydrazinylidene]methyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl]-1,3-oxazolidin-2-one
CID 66682707
3-[2-[[6-(2-hydroxy-2-methylpropoxy)-4-morpholin-4-yl-2-pyridinyl]methylidene]hydrazinyl]benzamide
CID 66648377
3-[2-[[6-(2-hydroxy-2-methylpropoxy)-2-morpholin-4-ylpyrimidin-4-yl]methylidene]hydrazinyl]benzamide
CID 66648290
3-methyl-N-[(E)-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylideneamino]aniline
CID 11166016
1-(3-bromophenyl)-3-[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]urea
CID 59258726
3,4-dimethyl-N-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylideneamino]aniline
CID 66648014
2,3-dimethyl-N-[(E)-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylideneamino]-1H-indol-5-amine
CID 11454233
(5E)-5-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazinylidene]-7,8-dihydro-6H-naphthalen-1-ol
CID 58085757

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methylidene]hydrazinyl]benzamide?
The IUPAC name of 3-[2-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methylidene]hydrazinyl]benzamide (CID 66682604) is 3-[2-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methylidene]hydrazinyl]benzamide.
What is the SMILES notation for 3-[2-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methylidene]hydrazinyl]benzamide?
The canonical SMILES for 3-[2-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methylidene]hydrazinyl]benzamide is NC(=O)c1cccc(NN=Cc2cc(N3CCOCC3)nc(OCCN3CCCCC3)n2)c1.
What is the InChIKey of 3-[2-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methylidene]hydrazinyl]benzamide?
The InChIKey is CGLXJRIIOCPNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N7O3/c24-22(31)18-5-4-6-19(15-18)28-25-17-20-16-21(30-10-12-32-13-11-30)27-23(26-20)33-14-9-29-7-2-1-3-8-29/h4-6,15-17,28H,1-3,7-14H2,(H2,24,31).
What are the key properties of 3-[2-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methylidene]hydrazinyl]benzamide?
3-[2-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methylidene]hydrazinyl]benzamide has a molecular weight of 453.55 g/mol, XLogP of 1.72, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methylidene]hydrazinyl]benzamide is sourced from PubChem (CID 66682604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).