3,4-dimethyl-N-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylideneamino]aniline

C24H33N5O3 — CID 66648014

IUPAC3,4-dimethyl-N-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylideneamino]aniline
SMILESCc1ccc(NN=Cc2cc(N3CCOCC3)cc(OCCN3CCOCC3)n2)cc1C
InChIInChI=1S/C24H33N5O3/c1-19-3-4-21(15-20(19)2)27-25-18-22-16-23(29-8-12-31-13-9-29)17-24(26-22)32-14-7-28-5-10-30-11-6-28/h3-4,15-18,27H,5-14H2,1-2H3
InChIKeyRKWQRKZMNNXLFW-UHFFFAOYSA-N
MW439.56 g/mol
LogP2.69
Rot. Bonds8

About 3,4-dimethyl-N-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylideneamino]aniline

3,4-dimethyl-N-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylideneamino]aniline (PubChem CID 66648014) has the molecular formula C24H33N5O3 and a molecular weight of 439.56 g/mol. Its IUPAC name is 3,4-dimethyl-N-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylideneamino]aniline.

Molecular Properties

Compound Name3,4-dimethyl-N-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylideneamino]aniline
PubChem CID66648014
Molecular FormulaC24H33N5O3
Molecular Weight439.56 g/mol
Exact Mass439.26
IUPAC Name3,4-dimethyl-N-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylideneamino]aniline
SMILESCc1ccc(NN=Cc2cc(N3CCOCC3)cc(OCCN3CCOCC3)n2)cc1C
InChIInChI=1S/C24H33N5O3/c1-19-3-4-21(15-20(19)2)27-25-18-22-16-23(29-8-12-31-13-9-29)17-24(26-22)32-14-7-28-5-10-30-11-6-28/h3-4,15-18,27H,5-14H2,1-2H3
InChIKeyRKWQRKZMNNXLFW-UHFFFAOYSA-N
XLogP2.69
TPSA71.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 52.69
H-Bond Donors ≤ 51
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'}

Analyze 3,4-dimethyl-N-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylideneamino]aniline with MolForge

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Related Compounds

2-[(E)-[(3,4-dimethylphenyl)hydrazinylidene]methyl]-6-(2-morpholin-4-ylethoxy)-N,N-dipropylpyridin-4-amine
CID 89358336
3-[2-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide
CID 66682180
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
(3,4-dimethylphenyl)methyl-[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazene
CID 90855310
N-methyl-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine
CID 143049464
6-[2-(4-ethylpiperazin-1-yl)ethoxy]-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine
CID 66682225
3-[2-[[6-(2-hydroxy-2-methylpropoxy)-4-morpholin-4-yl-2-pyridinyl]methylidene]hydrazinyl]benzamide
CID 66648377
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
N-[(E)-[6-[2-(methylamino)ethoxy]-4-morpholin-4-yl-2-pyridinyl]methylideneamino]-1H-indol-3-amine
CID 11474893
3-[(2E)-2-[[4-(dipropylamino)-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide
CID 89163631
N-[(E)-1,2-benzoxazol-3-ylmethylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine
CID 59673866

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylideneamino]aniline?
The IUPAC name of 3,4-dimethyl-N-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylideneamino]aniline (CID 66648014) is 3,4-dimethyl-N-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylideneamino]aniline.
What is the SMILES notation for 3,4-dimethyl-N-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylideneamino]aniline?
The canonical SMILES for 3,4-dimethyl-N-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylideneamino]aniline is Cc1ccc(NN=Cc2cc(N3CCOCC3)cc(OCCN3CCOCC3)n2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylideneamino]aniline?
The InChIKey is RKWQRKZMNNXLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O3/c1-19-3-4-21(15-20(19)2)27-25-18-22-16-23(29-8-12-31-13-9-29)17-24(26-22)32-14-7-28-5-10-30-11-6-28/h3-4,15-18,27H,5-14H2,1-2H3.
What are the key properties of 3,4-dimethyl-N-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylideneamino]aniline?
3,4-dimethyl-N-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylideneamino]aniline has a molecular weight of 439.56 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylideneamino]aniline is sourced from PubChem (CID 66648014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).