1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(2,2,5,5-tetramethyloxolan-3-yl)urea

C17H28N4O2 — CID 75473008

IUPAC1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(2,2,5,5-tetramethyloxolan-3-yl)urea
SMILESCN(C)c1ncccc1CNC(=O)NC1CC(C)(C)OC1(C)C
InChIInChI=1S/C17H28N4O2/c1-16(2)10-13(17(3,4)23-16)20-15(22)19-11-12-8-7-9-18-14(12)21(5)6/h7-9,13H,10-11H2,1-6H3,(H2,19,20,22)
InChIKeyGIANTEHBQVJXAH-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.29
Rot. Bonds4

About 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(2,2,5,5-tetramethyloxolan-3-yl)urea

1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(2,2,5,5-tetramethyloxolan-3-yl)urea (PubChem CID 75473008) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(2,2,5,5-tetramethyloxolan-3-yl)urea.

Molecular Properties

Compound Name1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(2,2,5,5-tetramethyloxolan-3-yl)urea
PubChem CID75473008
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(2,2,5,5-tetramethyloxolan-3-yl)urea
SMILESCN(C)c1ncccc1CNC(=O)NC1CC(C)(C)OC1(C)C
InChIInChI=1S/C17H28N4O2/c1-16(2)10-13(17(3,4)23-16)20-15(22)19-11-12-8-7-9-18-14(12)21(5)6/h7-9,13H,10-11H2,1-6H3,(H2,19,20,22)
InChIKeyGIANTEHBQVJXAH-UHFFFAOYSA-N
XLogP2.29
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(2,2,5,5-tetramethyloxolan-3-yl)urea?
The IUPAC name of 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(2,2,5,5-tetramethyloxolan-3-yl)urea (CID 75473008) is 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(2,2,5,5-tetramethyloxolan-3-yl)urea.
What is the SMILES notation for 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(2,2,5,5-tetramethyloxolan-3-yl)urea?
The canonical SMILES for 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(2,2,5,5-tetramethyloxolan-3-yl)urea is CN(C)c1ncccc1CNC(=O)NC1CC(C)(C)OC1(C)C.
What is the InChIKey of 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(2,2,5,5-tetramethyloxolan-3-yl)urea?
The InChIKey is GIANTEHBQVJXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-16(2)10-13(17(3,4)23-16)20-15(22)19-11-12-8-7-9-18-14(12)21(5)6/h7-9,13H,10-11H2,1-6H3,(H2,19,20,22).
What are the key properties of 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(2,2,5,5-tetramethyloxolan-3-yl)urea?
1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(2,2,5,5-tetramethyloxolan-3-yl)urea has a molecular weight of 320.44 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(2,2,5,5-tetramethyloxolan-3-yl)urea is sourced from PubChem (CID 75473008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).