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

C17H26N4O3 — CID 94059341

IUPAC1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea
SMILESC[C@H](NC(=O)NCc1cccnc1N1CCOCC1)[C@H]1CCCO1
InChIInChI=1S/C17H26N4O3/c1-13(15-5-3-9-24-15)20-17(22)19-12-14-4-2-6-18-16(14)21-7-10-23-11-8-21/h2,4,6,13,15H,3,5,7-12H2,1H3,(H2,19,20,22)/t13-,15+/m0/s1
InChIKeyJIHVBTTZERLQEY-DZGCQCFKSA-N
MW334.42 g/mol
LogP1.28
Rot. Bonds5

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

1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea (PubChem CID 94059341) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea.

Molecular Properties

Compound Name1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea
PubChem CID94059341
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea
SMILESC[C@H](NC(=O)NCc1cccnc1N1CCOCC1)[C@H]1CCCO1
InChIInChI=1S/C17H26N4O3/c1-13(15-5-3-9-24-15)20-17(22)19-12-14-4-2-6-18-16(14)21-7-10-23-11-8-21/h2,4,6,13,15H,3,5,7-12H2,1H3,(H2,19,20,22)/t13-,15+/m0/s1
InChIKeyJIHVBTTZERLQEY-DZGCQCFKSA-N
XLogP1.28
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea with MolForge

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Related Compounds

1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]urea
CID 94029250
1-ethyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 47226420
1-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-3-(pyridin-3-ylmethyl)urea
CID 94149059
1-[1-(2-methylphenyl)ethyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 42954650
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-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea
CID 94028744
(2R)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-pyrazol-1-ylpropanamide
CID 94037913
1-[2-(methoxymethyl)phenyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 55704978
1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 30867258
1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 94029201
1-amino-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119847219

Frequently Asked Questions

What is the IUPAC name of 1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea?
The IUPAC name of 1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea (CID 94059341) is 1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea.
What is the SMILES notation for 1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea?
The canonical SMILES for 1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea is C[C@H](NC(=O)NCc1cccnc1N1CCOCC1)[C@H]1CCCO1.
What is the InChIKey of 1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea?
The InChIKey is JIHVBTTZERLQEY-DZGCQCFKSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-13(15-5-3-9-24-15)20-17(22)19-12-14-4-2-6-18-16(14)21-7-10-23-11-8-21/h2,4,6,13,15H,3,5,7-12H2,1H3,(H2,19,20,22)/t13-,15+/m0/s1.
What are the key properties of 1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea?
1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea has a molecular weight of 334.42 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea is sourced from PubChem (CID 94059341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).