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

C23H27N5O2S — CID 58655454

IUPACN-[(E)-(4,5-dimethylthiophen-2-yl)methylideneamino]-6-(2-morpholin-4-ylethoxy)-4-pyridin-4-ylpyridin-2-amine
SMILESCc1cc(/C=N/Nc2cc(-c3ccncc3)cc(OCCN3CCOCC3)n2)sc1C
InChIInChI=1S/C23H27N5O2S/c1-17-13-21(31-18(17)2)16-25-27-22-14-20(19-3-5-24-6-4-19)15-23(26-22)30-12-9-28-7-10-29-11-8-28/h3-6,13-16H,7-12H2,1-2H3,(H,26,27)/b25-16+
InChIKeyHUSPZYGNSCOEEW-PCLIKHOPSA-N
MW437.57 g/mol
LogP3.98
Rot. Bonds8

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

N-[(E)-(4,5-dimethylthiophen-2-yl)methylideneamino]-6-(2-morpholin-4-ylethoxy)-4-pyridin-4-ylpyridin-2-amine (PubChem CID 58655454) has the molecular formula C23H27N5O2S and a molecular weight of 437.57 g/mol. Its IUPAC name is N-[(E)-(4,5-dimethylthiophen-2-yl)methylideneamino]-6-(2-morpholin-4-ylethoxy)-4-pyridin-4-ylpyridin-2-amine.

Molecular Properties

Compound NameN-[(E)-(4,5-dimethylthiophen-2-yl)methylideneamino]-6-(2-morpholin-4-ylethoxy)-4-pyridin-4-ylpyridin-2-amine
PubChem CID58655454
Molecular FormulaC23H27N5O2S
Molecular Weight437.57 g/mol
Exact Mass437.19
IUPAC NameN-[(E)-(4,5-dimethylthiophen-2-yl)methylideneamino]-6-(2-morpholin-4-ylethoxy)-4-pyridin-4-ylpyridin-2-amine
SMILESCc1cc(/C=N/Nc2cc(-c3ccncc3)cc(OCCN3CCOCC3)n2)sc1C
InChIInChI=1S/C23H27N5O2S/c1-17-13-21(31-18(17)2)16-25-27-22-14-20(19-3-5-24-6-4-19)15-23(26-22)30-12-9-28-7-10-29-11-8-28/h3-6,13-16H,7-12H2,1-2H3,(H,26,27)/b25-16+
InChIKeyHUSPZYGNSCOEEW-PCLIKHOPSA-N
XLogP3.98
TPSA71.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 53.98
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'}

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Related Compounds

N-[(E)-(4,5-dimethylthiophen-2-yl)methylideneamino]-2-(2-morpholin-4-ylethoxy)-6-pyridin-1-ium-4-ylpyrimidin-4-amine
CID 143229882
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-dimethyl-N-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylideneamino]aniline
CID 66648014
N-[(E)-1,2-benzoxazol-3-ylmethylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine
CID 59673866
N-(1,2-benzoxazol-3-ylmethylideneamino)-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine
CID 66682175
6-(2-morpholin-4-ylethoxy)-2-pyridin-4-ylpyrimidin-4-amine
CID 143229854
6-[2-(4-ethylpiperazin-1-yl)ethoxy]-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine
CID 66682225
5-ethyl-N-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]methylideneamino]thiophen-2-amine
CID 66648274
2-[(E)-[(3,4-dimethylphenyl)hydrazinylidene]methyl]-6-(2-morpholin-4-ylethoxy)-N,N-dipropylpyridin-4-amine
CID 89358336
N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-4-(2-morpholin-4-ylethoxy)pyridin-2-amine
CID 59673900
N-[(E)-(1-methylsulfonylindol-3-yl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine
CID 59673876

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4,5-dimethylthiophen-2-yl)methylideneamino]-6-(2-morpholin-4-ylethoxy)-4-pyridin-4-ylpyridin-2-amine?
The IUPAC name of N-[(E)-(4,5-dimethylthiophen-2-yl)methylideneamino]-6-(2-morpholin-4-ylethoxy)-4-pyridin-4-ylpyridin-2-amine (CID 58655454) is N-[(E)-(4,5-dimethylthiophen-2-yl)methylideneamino]-6-(2-morpholin-4-ylethoxy)-4-pyridin-4-ylpyridin-2-amine.
What is the SMILES notation for N-[(E)-(4,5-dimethylthiophen-2-yl)methylideneamino]-6-(2-morpholin-4-ylethoxy)-4-pyridin-4-ylpyridin-2-amine?
The canonical SMILES for N-[(E)-(4,5-dimethylthiophen-2-yl)methylideneamino]-6-(2-morpholin-4-ylethoxy)-4-pyridin-4-ylpyridin-2-amine is Cc1cc(/C=N/Nc2cc(-c3ccncc3)cc(OCCN3CCOCC3)n2)sc1C.
What is the InChIKey of N-[(E)-(4,5-dimethylthiophen-2-yl)methylideneamino]-6-(2-morpholin-4-ylethoxy)-4-pyridin-4-ylpyridin-2-amine?
The InChIKey is HUSPZYGNSCOEEW-PCLIKHOPSA-N. The full InChI is InChI=1S/C23H27N5O2S/c1-17-13-21(31-18(17)2)16-25-27-22-14-20(19-3-5-24-6-4-19)15-23(26-22)30-12-9-28-7-10-29-11-8-28/h3-6,13-16H,7-12H2,1-2H3,(H,26,27)/b25-16+.
What are the key properties of N-[(E)-(4,5-dimethylthiophen-2-yl)methylideneamino]-6-(2-morpholin-4-ylethoxy)-4-pyridin-4-ylpyridin-2-amine?
N-[(E)-(4,5-dimethylthiophen-2-yl)methylideneamino]-6-(2-morpholin-4-ylethoxy)-4-pyridin-4-ylpyridin-2-amine has a molecular weight of 437.57 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4,5-dimethylthiophen-2-yl)methylideneamino]-6-(2-morpholin-4-ylethoxy)-4-pyridin-4-ylpyridin-2-amine is sourced from PubChem (CID 58655454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).