N-[(E)-(4,5-dimethyl-2-pyridinyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine

C23H32N6O3 — CID 59673923

IUPACN-[(E)-(4,5-dimethyl-2-pyridinyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine
SMILESCc1cnc(/C=N/Nc2cc(N3CCOCC3)cc(OCCN3CCOCC3)n2)cc1C
InChIInChI=1S/C23H32N6O3/c1-18-13-20(24-16-19(18)2)17-25-27-22-14-21(29-6-10-31-11-7-29)15-23(26-22)32-12-5-28-3-8-30-9-4-28/h13-17H,3-12H2,1-2H3,(H,26,27)/b25-17+
InChIKeyQZZGBFPSKIUPRK-KOEQRZSOSA-N
MW440.55 g/mol
LogP2.09
Rot. Bonds8

About N-[(E)-(4,5-dimethyl-2-pyridinyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine

N-[(E)-(4,5-dimethyl-2-pyridinyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine (PubChem CID 59673923) has the molecular formula C23H32N6O3 and a molecular weight of 440.55 g/mol. Its IUPAC name is N-[(E)-(4,5-dimethyl-2-pyridinyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine.

Molecular Properties

Compound NameN-[(E)-(4,5-dimethyl-2-pyridinyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine
PubChem CID59673923
Molecular FormulaC23H32N6O3
Molecular Weight440.55 g/mol
Exact Mass440.25
IUPAC NameN-[(E)-(4,5-dimethyl-2-pyridinyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine
SMILESCc1cnc(/C=N/Nc2cc(N3CCOCC3)cc(OCCN3CCOCC3)n2)cc1C
InChIInChI=1S/C23H32N6O3/c1-18-13-20(24-16-19(18)2)17-25-27-22-14-21(29-6-10-31-11-7-29)15-23(26-22)32-12-5-28-3-8-30-9-4-28/h13-17H,3-12H2,1-2H3,(H,26,27)/b25-17+
InChIKeyQZZGBFPSKIUPRK-KOEQRZSOSA-N
XLogP2.09
TPSA84.34 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 52.09
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4,5-dimethyl-2-pyridinyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine?
The IUPAC name of N-[(E)-(4,5-dimethyl-2-pyridinyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine (CID 59673923) is N-[(E)-(4,5-dimethyl-2-pyridinyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine.
What is the SMILES notation for N-[(E)-(4,5-dimethyl-2-pyridinyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine?
The canonical SMILES for N-[(E)-(4,5-dimethyl-2-pyridinyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine is Cc1cnc(/C=N/Nc2cc(N3CCOCC3)cc(OCCN3CCOCC3)n2)cc1C.
What is the InChIKey of N-[(E)-(4,5-dimethyl-2-pyridinyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine?
The InChIKey is QZZGBFPSKIUPRK-KOEQRZSOSA-N. The full InChI is InChI=1S/C23H32N6O3/c1-18-13-20(24-16-19(18)2)17-25-27-22-14-21(29-6-10-31-11-7-29)15-23(26-22)32-12-5-28-3-8-30-9-4-28/h13-17H,3-12H2,1-2H3,(H,26,27)/b25-17+.
What are the key properties of N-[(E)-(4,5-dimethyl-2-pyridinyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine?
N-[(E)-(4,5-dimethyl-2-pyridinyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine has a molecular weight of 440.55 g/mol, XLogP of 2.09, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4,5-dimethyl-2-pyridinyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine is sourced from PubChem (CID 59673923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).