1-(2-methoxy-3-pyridinyl)-3-[[(3R)-oxolan-3-yl]methyl]urea

C12H17N3O3 — CID 94178810

IUPAC1-(2-methoxy-3-pyridinyl)-3-[[(3R)-oxolan-3-yl]methyl]urea
SMILESCOc1ncccc1NC(=O)NC[C@H]1CCOC1
InChIInChI=1S/C12H17N3O3/c1-17-11-10(3-2-5-13-11)15-12(16)14-7-9-4-6-18-8-9/h2-3,5,9H,4,6-8H2,1H3,(H2,14,15,16)/t9-/m1/s1
InChIKeyQESHWHMVRLXYPK-SECBINFHSA-N
MW251.29 g/mol
LogP1.25
Rot. Bonds4

About 1-(2-methoxy-3-pyridinyl)-3-[[(3R)-oxolan-3-yl]methyl]urea

1-(2-methoxy-3-pyridinyl)-3-[[(3R)-oxolan-3-yl]methyl]urea (PubChem CID 94178810) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-(2-methoxy-3-pyridinyl)-3-[[(3R)-oxolan-3-yl]methyl]urea.

Molecular Properties

Compound Name1-(2-methoxy-3-pyridinyl)-3-[[(3R)-oxolan-3-yl]methyl]urea
PubChem CID94178810
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name1-(2-methoxy-3-pyridinyl)-3-[[(3R)-oxolan-3-yl]methyl]urea
SMILESCOc1ncccc1NC(=O)NC[C@H]1CCOC1
InChIInChI=1S/C12H17N3O3/c1-17-11-10(3-2-5-13-11)15-12(16)14-7-9-4-6-18-8-9/h2-3,5,9H,4,6-8H2,1H3,(H2,14,15,16)/t9-/m1/s1
InChIKeyQESHWHMVRLXYPK-SECBINFHSA-N
XLogP1.25
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-methoxy-3-pyridinyl)-3-[[(3R)-oxolan-3-yl]methyl]urea with MolForge

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Related Compounds

3-(oxolan-3-ylmethylcarbamoylamino)pyridine-2-carboxylic acid
CID 104743585
1-(2-methoxy-3-pyridinyl)-3-(oxolan-2-ylmethyl)urea
CID 47042572
1-ethyl-3-(2-methoxy-3-pyridinyl)-1-[[(3S)-oxolan-3-yl]methyl]urea
CID 94147343
1-(2-methoxy-3-pyridinyl)-3-(2-methylpropyl)urea
CID 47042582
1-(4-methoxy-2-methylphenyl)-3-[[(3S)-oxolan-3-yl]methyl]urea
CID 125170007
1-[2-(ethoxymethyl)phenyl]-3-[[(3R)-oxolan-3-yl]methyl]urea
CID 94198923
1-(2-methoxy-3-pyridinyl)-3-prop-2-ynylurea
CID 47042553
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(2-methoxy-3-pyridinyl)urea
CID 51116674
3-ethyl-N-[[(3S)-oxolan-3-yl]methyl]pyridine-2-carboxamide
CID 169269388
1-(2-methoxyethyl)-3-(2-methoxy-3-pyridinyl)urea
CID 47223034
1-[4-(4-methoxyphenoxy)phenyl]-3-[[(3S)-oxolan-3-yl]methyl]urea
CID 125156664
ethane;3-methyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide
CID 169269117

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3-pyridinyl)-3-[[(3R)-oxolan-3-yl]methyl]urea?
The IUPAC name of 1-(2-methoxy-3-pyridinyl)-3-[[(3R)-oxolan-3-yl]methyl]urea (CID 94178810) is 1-(2-methoxy-3-pyridinyl)-3-[[(3R)-oxolan-3-yl]methyl]urea.
What is the SMILES notation for 1-(2-methoxy-3-pyridinyl)-3-[[(3R)-oxolan-3-yl]methyl]urea?
The canonical SMILES for 1-(2-methoxy-3-pyridinyl)-3-[[(3R)-oxolan-3-yl]methyl]urea is COc1ncccc1NC(=O)NC[C@H]1CCOC1.
What is the InChIKey of 1-(2-methoxy-3-pyridinyl)-3-[[(3R)-oxolan-3-yl]methyl]urea?
The InChIKey is QESHWHMVRLXYPK-SECBINFHSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-17-11-10(3-2-5-13-11)15-12(16)14-7-9-4-6-18-8-9/h2-3,5,9H,4,6-8H2,1H3,(H2,14,15,16)/t9-/m1/s1.
What are the key properties of 1-(2-methoxy-3-pyridinyl)-3-[[(3R)-oxolan-3-yl]methyl]urea?
1-(2-methoxy-3-pyridinyl)-3-[[(3R)-oxolan-3-yl]methyl]urea has a molecular weight of 251.29 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3-pyridinyl)-3-[[(3R)-oxolan-3-yl]methyl]urea is sourced from PubChem (CID 94178810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).