1-(3-morpholin-4-ylpropyl)-3-(pyridin-3-ylmethyl)urea

C14H22N4O2 — CID 127566290

IUPAC1-(3-morpholin-4-ylpropyl)-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCCCN1CCOCC1)NCc1cccnc1
InChIInChI=1S/C14H22N4O2/c19-14(17-12-13-3-1-4-15-11-13)16-5-2-6-18-7-9-20-10-8-18/h1,3-4,11H,2,5-10,12H2,(H2,16,17,19)
InChIKeyZBKVAWMLFPXLNC-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.60
Rot. Bonds6

About 1-(3-morpholin-4-ylpropyl)-3-(pyridin-3-ylmethyl)urea

1-(3-morpholin-4-ylpropyl)-3-(pyridin-3-ylmethyl)urea (PubChem CID 127566290) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-(3-morpholin-4-ylpropyl)-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(3-morpholin-4-ylpropyl)-3-(pyridin-3-ylmethyl)urea
PubChem CID127566290
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name1-(3-morpholin-4-ylpropyl)-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCCCN1CCOCC1)NCc1cccnc1
InChIInChI=1S/C14H22N4O2/c19-14(17-12-13-3-1-4-15-11-13)16-5-2-6-18-7-9-20-10-8-18/h1,3-4,11H,2,5-10,12H2,(H2,16,17,19)
InChIKeyZBKVAWMLFPXLNC-UHFFFAOYSA-N
XLogP0.60
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-morpholin-4-ylethylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 108994762
1-[6-[(4-chlorophenyl)-(2-morpholin-4-ylethyl)sulfamoyl]hexyl]-3-(pyridin-3-ylmethyl)urea
CID 46183403
1-[6-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-(pyridin-3-ylmethyl)urea
CID 46183166
N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide;hydrochloride
CID 2909951
2-methyl-1-(2-morpholin-4-ylethyl)-3-(pyridin-3-ylmethyl)guanidine
CID 111023394
2-(1,4-oxazepan-4-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 62968313
1-benzyl-N-(3-morpholin-4-ylpropyl)-5-(pyridin-3-ylmethylcarbamoylamino)indole-3-carboxamide
CID 71502499
5-(2-morpholin-4-ylethylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109185798
1-[4-[cyclobutyl(3-morpholin-4-ylpropyl)sulfamoyl]butyl]-3-(2-pyridin-3-ylethyl)urea
CID 46183888
N-(2-morpholin-4-ylethyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide
CID 109277480
(Z)-2-cyano-3-(2-morpholin-4-ylethylamino)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 108837388
2-(2-morpholin-4-ylethylamino)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 109168044

Frequently Asked Questions

What is the IUPAC name of 1-(3-morpholin-4-ylpropyl)-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-(3-morpholin-4-ylpropyl)-3-(pyridin-3-ylmethyl)urea (CID 127566290) is 1-(3-morpholin-4-ylpropyl)-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-(3-morpholin-4-ylpropyl)-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-(3-morpholin-4-ylpropyl)-3-(pyridin-3-ylmethyl)urea is O=C(NCCCN1CCOCC1)NCc1cccnc1.
What is the InChIKey of 1-(3-morpholin-4-ylpropyl)-3-(pyridin-3-ylmethyl)urea?
The InChIKey is ZBKVAWMLFPXLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c19-14(17-12-13-3-1-4-15-11-13)16-5-2-6-18-7-9-20-10-8-18/h1,3-4,11H,2,5-10,12H2,(H2,16,17,19).
What are the key properties of 1-(3-morpholin-4-ylpropyl)-3-(pyridin-3-ylmethyl)urea?
1-(3-morpholin-4-ylpropyl)-3-(pyridin-3-ylmethyl)urea has a molecular weight of 278.36 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-morpholin-4-ylpropyl)-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 127566290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).