N-[(E)-[6-[2-(methylamino)ethoxy]-4-morpholin-4-yl-2-pyridinyl]methylideneamino]-1H-indol-3-amine

C21H26N6O2 — CID 11474893

IUPACN-[(E)-[6-[2-(methylamino)ethoxy]-4-morpholin-4-yl-2-pyridinyl]methylideneamino]-1H-indol-3-amine
SMILESCNCCOc1cc(N2CCOCC2)cc(/C=N/Nc2c[nH]c3ccccc23)n1
InChIInChI=1S/C21H26N6O2/c1-22-6-9-29-21-13-17(27-7-10-28-11-8-27)12-16(25-21)14-24-26-20-15-23-19-5-3-2-4-18(19)20/h2-5,12-15,22-23,26H,6-11H2,1H3/b24-14+
InChIKeyDXCYTNOCBVWJRJ-ZVHZXABRSA-N
MW394.48 g/mol
LogP2.44
Rot. Bonds8

About N-[(E)-[6-[2-(methylamino)ethoxy]-4-morpholin-4-yl-2-pyridinyl]methylideneamino]-1H-indol-3-amine

N-[(E)-[6-[2-(methylamino)ethoxy]-4-morpholin-4-yl-2-pyridinyl]methylideneamino]-1H-indol-3-amine (PubChem CID 11474893) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-[(E)-[6-[2-(methylamino)ethoxy]-4-morpholin-4-yl-2-pyridinyl]methylideneamino]-1H-indol-3-amine.

Molecular Properties

Compound NameN-[(E)-[6-[2-(methylamino)ethoxy]-4-morpholin-4-yl-2-pyridinyl]methylideneamino]-1H-indol-3-amine
PubChem CID11474893
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC NameN-[(E)-[6-[2-(methylamino)ethoxy]-4-morpholin-4-yl-2-pyridinyl]methylideneamino]-1H-indol-3-amine
SMILESCNCCOc1cc(N2CCOCC2)cc(/C=N/Nc2c[nH]c3ccccc23)n1
InChIInChI=1S/C21H26N6O2/c1-22-6-9-29-21-13-17(27-7-10-28-11-8-27)12-16(25-21)14-24-26-20-15-23-19-5-3-2-4-18(19)20/h2-5,12-15,22-23,26H,6-11H2,1H3/b24-14+
InChIKeyDXCYTNOCBVWJRJ-ZVHZXABRSA-N
XLogP2.44
TPSA86.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-[6-[2-(methylamino)ethoxy]-4-morpholin-4-yl-2-pyridinyl]methylideneamino]-3a,7a-dihydro-1H-indol-3-amine
CID 89176033
3,4-dimethyl-N-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylideneamino]aniline
CID 66648014
6-[2-(methylamino)ethoxy]-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine
CID 66683567
6-[2-(methylamino)ethoxy]-N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine
CID 11314679
4-methyl-2-[2-[[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide
CID 118162383
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)-[4-(dipropylamino)-6-[2-(methylamino)ethoxy]-1,3,5-triazin-2-yl]methylideneamino]-1H-indol-3-amine
CID 89358286
3-[2-[[6-(2-hydroxy-2-methylpropoxy)-4-morpholin-4-yl-2-pyridinyl]methylidene]hydrazinyl]benzamide
CID 66648377
3-[2-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide
CID 66682180
N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(2-pyridin-2-yloxyethoxy)pyridin-2-amine
CID 66683643
[6-[2-(1H-indol-3-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]-[(3-methylphenyl)methyl]diazene
CID 91022452
N-[[4-[2-(methylamino)ethoxy]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylideneamino]naphthalen-2-amine
CID 66648026

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[6-[2-(methylamino)ethoxy]-4-morpholin-4-yl-2-pyridinyl]methylideneamino]-1H-indol-3-amine?
The IUPAC name of N-[(E)-[6-[2-(methylamino)ethoxy]-4-morpholin-4-yl-2-pyridinyl]methylideneamino]-1H-indol-3-amine (CID 11474893) is N-[(E)-[6-[2-(methylamino)ethoxy]-4-morpholin-4-yl-2-pyridinyl]methylideneamino]-1H-indol-3-amine.
What is the SMILES notation for N-[(E)-[6-[2-(methylamino)ethoxy]-4-morpholin-4-yl-2-pyridinyl]methylideneamino]-1H-indol-3-amine?
The canonical SMILES for N-[(E)-[6-[2-(methylamino)ethoxy]-4-morpholin-4-yl-2-pyridinyl]methylideneamino]-1H-indol-3-amine is CNCCOc1cc(N2CCOCC2)cc(/C=N/Nc2c[nH]c3ccccc23)n1.
What is the InChIKey of N-[(E)-[6-[2-(methylamino)ethoxy]-4-morpholin-4-yl-2-pyridinyl]methylideneamino]-1H-indol-3-amine?
The InChIKey is DXCYTNOCBVWJRJ-ZVHZXABRSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-22-6-9-29-21-13-17(27-7-10-28-11-8-27)12-16(25-21)14-24-26-20-15-23-19-5-3-2-4-18(19)20/h2-5,12-15,22-23,26H,6-11H2,1H3/b24-14+.
What are the key properties of N-[(E)-[6-[2-(methylamino)ethoxy]-4-morpholin-4-yl-2-pyridinyl]methylideneamino]-1H-indol-3-amine?
N-[(E)-[6-[2-(methylamino)ethoxy]-4-morpholin-4-yl-2-pyridinyl]methylideneamino]-1H-indol-3-amine has a molecular weight of 394.48 g/mol, XLogP of 2.44, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[6-[2-(methylamino)ethoxy]-4-morpholin-4-yl-2-pyridinyl]methylideneamino]-1H-indol-3-amine is sourced from PubChem (CID 11474893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).