2-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine

C23H32N6O2 — CID 11453023

IUPAC2-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine
SMILESCc1cccc(/C=N/Nc2cc(NCCN3CCOCC3)cc(N3CCOCC3)n2)c1
InChIInChI=1S/C23H32N6O2/c1-19-3-2-4-20(15-19)18-25-27-22-16-21(24-5-6-28-7-11-30-12-8-28)17-23(26-22)29-9-13-31-14-10-29/h2-4,15-18H,5-14H2,1H3,(H2,24,26,27)/b25-18+
InChIKeyVOSNALKKMGDXQD-XIEYBQDHSA-N
MW424.55 g/mol
LogP2.42
Rot. Bonds8

About 2-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine

2-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine (PubChem CID 11453023) has the molecular formula C23H32N6O2 and a molecular weight of 424.55 g/mol. Its IUPAC name is 2-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine
PubChem CID11453023
Molecular FormulaC23H32N6O2
Molecular Weight424.55 g/mol
Exact Mass424.26
IUPAC Name2-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine
SMILESCc1cccc(/C=N/Nc2cc(NCCN3CCOCC3)cc(N3CCOCC3)n2)c1
InChIInChI=1S/C23H32N6O2/c1-19-3-2-4-20(15-19)18-25-27-22-16-21(24-5-6-28-7-11-30-12-8-28)17-23(26-22)29-9-13-31-14-10-29/h2-4,15-18H,5-14H2,1H3,(H2,24,26,27)/b25-18+
InChIKeyVOSNALKKMGDXQD-XIEYBQDHSA-N
XLogP2.42
TPSA74.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 52.42
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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Related Compounds

N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-4-(2-morpholin-4-ylethoxy)pyridin-2-amine
CID 59673900
N-[(3-methylphenyl)methylideneamino]-2-(2-morpholin-4-ylethoxy)-6-(1,3-thiazolidin-3-yl)pyrimidin-4-amine
CID 66683532
1-[2-[[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]methoxy]ethyl]pyridin-2-one
CID 172939169
3-[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]-1-pyridin-2-ylpropan-1-ol
CID 11293401
[2-methyl-1-[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]propan-2-yl] N-[4-(trifluoromethyl)phenyl]carbamate
CID 11685457
[2-methyl-1-[4-[2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]propan-2-yl] N-[4-(trifluoromethyl)phenyl]carbamate
CID 66841104
2-[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]ethyl N-[3-(trifluoromethyl)phenyl]carbamate
CID 11713445
N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-pyridin-3-yloxypyrimidin-4-amine
CID 10194138
6-[2-(4-ethylpiperazin-1-yl)ethoxy]-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine
CID 66682225
6-N-ethyl-2-N-[(E)-(3-methylphenyl)methylideneamino]-6-N-(2-morpholin-4-ylethyl)-4-N,4-N-dipropylpyridine-2,4,6-triamine
CID 89358423
2-[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl morpholine-4-carboxylate
CID 58613205
N-[(3-methylphenyl)methylideneamino]-2-morpholin-4-yl-9-(2-morpholin-4-ylethyl)purin-6-amine
CID 170724562

Frequently Asked Questions

What is the IUPAC name of 2-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine?
The IUPAC name of 2-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine (CID 11453023) is 2-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine.
What is the SMILES notation for 2-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine?
The canonical SMILES for 2-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine is Cc1cccc(/C=N/Nc2cc(NCCN3CCOCC3)cc(N3CCOCC3)n2)c1.
What is the InChIKey of 2-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine?
The InChIKey is VOSNALKKMGDXQD-XIEYBQDHSA-N. The full InChI is InChI=1S/C23H32N6O2/c1-19-3-2-4-20(15-19)18-25-27-22-16-21(24-5-6-28-7-11-30-12-8-28)17-23(26-22)29-9-13-31-14-10-29/h2-4,15-18H,5-14H2,1H3,(H2,24,26,27)/b25-18+.
What are the key properties of 2-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine?
2-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine has a molecular weight of 424.55 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine is sourced from PubChem (CID 11453023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).