1-ethyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea

C13H20N4O2 — CID 47226420

IUPAC1-ethyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
SMILESCCNC(=O)NCc1cccnc1N1CCOCC1
InChIInChI=1S/C13H20N4O2/c1-2-14-13(18)16-10-11-4-3-5-15-12(11)17-6-8-19-9-7-17/h3-5H,2,6-10H2,1H3,(H2,14,16,18)
InChIKeyQKLGOPLXCUUJKK-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.74
Rot. Bonds4

About 1-ethyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea

1-ethyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea (PubChem CID 47226420) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-ethyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
PubChem CID47226420
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name1-ethyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
SMILESCCNC(=O)NCc1cccnc1N1CCOCC1
InChIInChI=1S/C13H20N4O2/c1-2-14-13(18)16-10-11-4-3-5-15-12(11)17-6-8-19-9-7-17/h3-5H,2,6-10H2,1H3,(H2,14,16,18)
InChIKeyQKLGOPLXCUUJKK-UHFFFAOYSA-N
XLogP0.74
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(1R,2S)-2-methylcyclopropyl]methyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 94029265
(2R)-2-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pentanamide
CID 94045824
1-[2-(methoxymethyl)phenyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 55704978
1-[[2-(difluoromethoxy)phenyl]methyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 86927668
1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[2-(pyrazol-1-ylmethyl)phenyl]urea
CID 47033847
1-[1-(2-methylphenyl)ethyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 42954650
1-amino-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119847219
(2R)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-pyrazol-1-ylpropanamide
CID 94037913
1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea
CID 94059341
4-(4-methylphenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-oxobutanamide
CID 39248691
1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 47033840
(3R)-1-ethyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 39568663

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea?
The IUPAC name of 1-ethyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea (CID 47226420) is 1-ethyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea.
What is the SMILES notation for 1-ethyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea?
The canonical SMILES for 1-ethyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea is CCNC(=O)NCc1cccnc1N1CCOCC1.
What is the InChIKey of 1-ethyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea?
The InChIKey is QKLGOPLXCUUJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-2-14-13(18)16-10-11-4-3-5-15-12(11)17-6-8-19-9-7-17/h3-5H,2,6-10H2,1H3,(H2,14,16,18).
What are the key properties of 1-ethyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea?
1-ethyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea has a molecular weight of 264.33 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea is sourced from PubChem (CID 47226420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).