1-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-3-(pyridin-3-ylmethyl)urea

C13H19N3O2 — CID 94149059

IUPAC1-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-3-(pyridin-3-ylmethyl)urea
SMILESC[C@@H](NC(=O)NCc1cccnc1)[C@@H]1CCCO1
InChIInChI=1S/C13H19N3O2/c1-10(12-5-3-7-18-12)16-13(17)15-9-11-4-2-6-14-8-11/h2,4,6,8,10,12H,3,5,7,9H2,1H3,(H2,15,16,17)/t10-,12+/m1/s1
InChIKeyRBHJXERQKDXNCJ-PWSUYJOCSA-N
MW249.31 g/mol
LogP1.45
Rot. Bonds4

About 1-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-3-(pyridin-3-ylmethyl)urea

1-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-3-(pyridin-3-ylmethyl)urea (PubChem CID 94149059) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-3-(pyridin-3-ylmethyl)urea
PubChem CID94149059
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-3-(pyridin-3-ylmethyl)urea
SMILESC[C@@H](NC(=O)NCc1cccnc1)[C@@H]1CCCO1
InChIInChI=1S/C13H19N3O2/c1-10(12-5-3-7-18-12)16-13(17)15-9-11-4-2-6-14-8-11/h2,4,6,8,10,12H,3,5,7,9H2,1H3,(H2,15,16,17)/t10-,12+/m1/s1
InChIKeyRBHJXERQKDXNCJ-PWSUYJOCSA-N
XLogP1.45
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea
CID 94059341
1-[[3-(methylsulfamoyl)phenyl]methyl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea
CID 38330248
1-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-3-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]urea
CID 94179210
1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]urea
CID 94029250
1-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
CID 97086236
1-[1-(oxolan-2-yl)ethyl]-3-[(1-phenylcyclobutyl)methyl]urea
CID 134006680
1-[(1R)-1-phenylethyl]-3-(pyridin-3-ylmethyl)urea
CID 9115545
1-[(1-hydroxycyclobutyl)methyl]-3-[1-(oxolan-2-yl)ethyl]urea
CID 111438268
3-hydroxy-2-(pyridin-3-ylmethylcarbamoylamino)butanoic acid
CID 61200194
2-(oxan-4-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 91918211
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-phenylpropanamide
CID 7346632
3-methyl-2-(pyridin-3-ylmethylcarbamoylamino)pentanoic acid
CID 4544659

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-3-(pyridin-3-ylmethyl)urea (CID 94149059) is 1-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-3-(pyridin-3-ylmethyl)urea is C[C@@H](NC(=O)NCc1cccnc1)[C@@H]1CCCO1.
What is the InChIKey of 1-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-3-(pyridin-3-ylmethyl)urea?
The InChIKey is RBHJXERQKDXNCJ-PWSUYJOCSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10(12-5-3-7-18-12)16-13(17)15-9-11-4-2-6-14-8-11/h2,4,6,8,10,12H,3,5,7,9H2,1H3,(H2,15,16,17)/t10-,12+/m1/s1.
What are the key properties of 1-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-3-(pyridin-3-ylmethyl)urea?
1-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-3-(pyridin-3-ylmethyl)urea has a molecular weight of 249.31 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 94149059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).