1-[6-[4-(morpholin-3-ylmethoxy)phenoxy]-3-pyridinyl]propane-1,3-diimine

C19H22N4O3 — CID 123728949

IUPAC1-[6-[4-(morpholin-3-ylmethoxy)phenoxy]-3-pyridinyl]propane-1,3-diimine
SMILES[H]/N=C/C/C(=N\[H])c1ccc(Oc2ccc(OCC3COCCN3)cc2)nc1
InChIInChI=1S/C19H22N4O3/c20-8-7-18(21)14-1-6-19(23-11-14)26-17-4-2-16(3-5-17)25-13-15-12-24-10-9-22-15/h1-6,8,11,15,20-22H,7,9-10,12-13H2/b20-8+,21-18+
InChIKeyNIQREJUBYILECI-JYSLFSDYSA-N
MW354.41 g/mol
LogP2.65
Rot. Bonds8

About 1-[6-[4-(morpholin-3-ylmethoxy)phenoxy]-3-pyridinyl]propane-1,3-diimine

1-[6-[4-(morpholin-3-ylmethoxy)phenoxy]-3-pyridinyl]propane-1,3-diimine (PubChem CID 123728949) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-[6-[4-(morpholin-3-ylmethoxy)phenoxy]-3-pyridinyl]propane-1,3-diimine.

Molecular Properties

Compound Name1-[6-[4-(morpholin-3-ylmethoxy)phenoxy]-3-pyridinyl]propane-1,3-diimine
PubChem CID123728949
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name1-[6-[4-(morpholin-3-ylmethoxy)phenoxy]-3-pyridinyl]propane-1,3-diimine
SMILES[H]/N=C/C/C(=N\[H])c1ccc(Oc2ccc(OCC3COCCN3)cc2)nc1
InChIInChI=1S/C19H22N4O3/c20-8-7-18(21)14-1-6-19(23-11-14)26-17-4-2-16(3-5-17)25-13-15-12-24-10-9-22-15/h1-6,8,11,15,20-22H,7,9-10,12-13H2/b20-8+,21-18+
InChIKeyNIQREJUBYILECI-JYSLFSDYSA-N
XLogP2.65
TPSA100.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[[4-[[5-(3-iminopropanimidoyl)-2-pyridinyl]oxy]phenoxy]methyl]-1,3-oxazolidin-2-one
CID 123988406
1-[4-[4-(oxan-4-yloxy)phenoxy]phenyl]propane-1,3-diimine
CID 123942418
1-[4-[4-(1,3-thiazol-5-ylmethoxy)phenoxy]phenyl]propane-1,3-diimine
CID 123835373
3-[(3,4-difluorophenoxy)methyl]morpholine
CID 82288355
4-[4-(3-morpholin-3-ylpropoxy)phenoxy]benzene-1,2-diamine
CID 21451805
[3-[[(3S)-morpholin-3-yl]methoxy]-4-pyridinyl]methanamine
CID 163223600
2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]pyridine
CID 58852476
(3,4-diaminophenyl)-[4-(3-morpholin-3-ylpropoxy)phenyl]methanone
CID 21451795
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]morpholine-3-carboxamide
CID 119847595
1-(6-methoxynaphthalen-2-yl)-2-morpholin-3-ylethanone
CID 81469263
3-[(2-methylpropan-2-yl)oxymethyl]morpholine
CID 58365003
1-[4-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]phenyl]ethanone;hydrochloride
CID 68998757

Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-(morpholin-3-ylmethoxy)phenoxy]-3-pyridinyl]propane-1,3-diimine?
The IUPAC name of 1-[6-[4-(morpholin-3-ylmethoxy)phenoxy]-3-pyridinyl]propane-1,3-diimine (CID 123728949) is 1-[6-[4-(morpholin-3-ylmethoxy)phenoxy]-3-pyridinyl]propane-1,3-diimine.
What is the SMILES notation for 1-[6-[4-(morpholin-3-ylmethoxy)phenoxy]-3-pyridinyl]propane-1,3-diimine?
The canonical SMILES for 1-[6-[4-(morpholin-3-ylmethoxy)phenoxy]-3-pyridinyl]propane-1,3-diimine is [H]/N=C/C/C(=N\[H])c1ccc(Oc2ccc(OCC3COCCN3)cc2)nc1.
What is the InChIKey of 1-[6-[4-(morpholin-3-ylmethoxy)phenoxy]-3-pyridinyl]propane-1,3-diimine?
The InChIKey is NIQREJUBYILECI-JYSLFSDYSA-N. The full InChI is InChI=1S/C19H22N4O3/c20-8-7-18(21)14-1-6-19(23-11-14)26-17-4-2-16(3-5-17)25-13-15-12-24-10-9-22-15/h1-6,8,11,15,20-22H,7,9-10,12-13H2/b20-8+,21-18+.
What are the key properties of 1-[6-[4-(morpholin-3-ylmethoxy)phenoxy]-3-pyridinyl]propane-1,3-diimine?
1-[6-[4-(morpholin-3-ylmethoxy)phenoxy]-3-pyridinyl]propane-1,3-diimine has a molecular weight of 354.41 g/mol, XLogP of 2.65, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[4-(morpholin-3-ylmethoxy)phenoxy]-3-pyridinyl]propane-1,3-diimine is sourced from PubChem (CID 123728949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).