N-[(E)-1-benzofuran-3-ylmethylideneamino]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-4-amine

C24H29N5O4 — CID 59673886

IUPACN-[(E)-1-benzofuran-3-ylmethylideneamino]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-4-amine
SMILESC(=N/Nc1cc(OCCN2CCOCC2)nc(N2CCOCC2)c1)\c1coc2ccccc12
InChIInChI=1S/C24H29N5O4/c1-2-4-22-21(3-1)19(18-33-22)17-25-27-20-15-23(29-8-12-31-13-9-29)26-24(16-20)32-14-7-28-5-10-30-11-6-28/h1-4,15-18H,5-14H2,(H,26,27)/b25-17+
InChIKeyDCYQNXAQBBFUIH-KOEQRZSOSA-N
MW451.53 g/mol
LogP2.82
Rot. Bonds8

About N-[(E)-1-benzofuran-3-ylmethylideneamino]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-4-amine

N-[(E)-1-benzofuran-3-ylmethylideneamino]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-4-amine (PubChem CID 59673886) has the molecular formula C24H29N5O4 and a molecular weight of 451.53 g/mol. Its IUPAC name is N-[(E)-1-benzofuran-3-ylmethylideneamino]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-4-amine.

Molecular Properties

Compound NameN-[(E)-1-benzofuran-3-ylmethylideneamino]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-4-amine
PubChem CID59673886
Molecular FormulaC24H29N5O4
Molecular Weight451.53 g/mol
Exact Mass451.22
IUPAC NameN-[(E)-1-benzofuran-3-ylmethylideneamino]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-4-amine
SMILESC(=N/Nc1cc(OCCN2CCOCC2)nc(N2CCOCC2)c1)\c1coc2ccccc12
InChIInChI=1S/C24H29N5O4/c1-2-4-22-21(3-1)19(18-33-22)17-25-27-20-15-23(29-8-12-31-13-9-29)26-24(16-20)32-14-7-28-5-10-30-11-6-28/h1-4,15-18H,5-14H2,(H,26,27)/b25-17+
InChIKeyDCYQNXAQBBFUIH-KOEQRZSOSA-N
XLogP2.82
TPSA84.59 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 52.82
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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Launch Full Analysis

Related Compounds

N-(1,2-benzoxazol-3-ylmethylideneamino)-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine
CID 66682175
N-[(E)-1,2-benzoxazol-3-ylmethylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine
CID 59673866
N-[[2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]aniline
CID 169383008
3,4-dimethyl-N-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylideneamino]aniline
CID 66648014
5-ethyl-N-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]methylideneamino]thiophen-2-amine
CID 66648274
N-[(E)-(1-methylsulfonylindol-3-yl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine
CID 59673876
3-[2-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide
CID 66682180
N-[[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]aniline
CID 169383017
N-[(E)-(2-amino-5-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine
CID 11328144
3-[2-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methylidene]hydrazinyl]benzamide
CID 66682604
N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-4-(2-morpholin-4-ylethoxy)pyridin-2-amine
CID 59673900
ethane;6-(2-morpholin-4-ylethoxy)-2-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]-N,N-dipropylpyrimidin-4-amine
CID 143533554

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-benzofuran-3-ylmethylideneamino]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-4-amine?
The IUPAC name of N-[(E)-1-benzofuran-3-ylmethylideneamino]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-4-amine (CID 59673886) is N-[(E)-1-benzofuran-3-ylmethylideneamino]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-4-amine.
What is the SMILES notation for N-[(E)-1-benzofuran-3-ylmethylideneamino]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-4-amine?
The canonical SMILES for N-[(E)-1-benzofuran-3-ylmethylideneamino]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-4-amine is C(=N/Nc1cc(OCCN2CCOCC2)nc(N2CCOCC2)c1)\c1coc2ccccc12.
What is the InChIKey of N-[(E)-1-benzofuran-3-ylmethylideneamino]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-4-amine?
The InChIKey is DCYQNXAQBBFUIH-KOEQRZSOSA-N. The full InChI is InChI=1S/C24H29N5O4/c1-2-4-22-21(3-1)19(18-33-22)17-25-27-20-15-23(29-8-12-31-13-9-29)26-24(16-20)32-14-7-28-5-10-30-11-6-28/h1-4,15-18H,5-14H2,(H,26,27)/b25-17+.
What are the key properties of N-[(E)-1-benzofuran-3-ylmethylideneamino]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-4-amine?
N-[(E)-1-benzofuran-3-ylmethylideneamino]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-4-amine has a molecular weight of 451.53 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-benzofuran-3-ylmethylideneamino]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-4-amine is sourced from PubChem (CID 59673886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).