1-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]-3-(pyridin-2-ylmethyl)urea

C17H22N4O2 — CID 75517689

IUPAC1-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]-3-(pyridin-2-ylmethyl)urea
SMILESCC(C)(C)Oc1ccc(CNC(=O)NCc2ccccn2)cn1
InChIInChI=1S/C17H22N4O2/c1-17(2,3)23-15-8-7-13(10-19-15)11-20-16(22)21-12-14-6-4-5-9-18-14/h4-10H,11-12H2,1-3H3,(H2,20,21,22)
InChIKeyBOEJXJBLLRWCLG-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.65
Rot. Bonds5

About 1-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]-3-(pyridin-2-ylmethyl)urea

1-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]-3-(pyridin-2-ylmethyl)urea (PubChem CID 75517689) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]-3-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]-3-(pyridin-2-ylmethyl)urea
PubChem CID75517689
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]-3-(pyridin-2-ylmethyl)urea
SMILESCC(C)(C)Oc1ccc(CNC(=O)NCc2ccccn2)cn1
InChIInChI=1S/C17H22N4O2/c1-17(2,3)23-15-8-7-13(10-19-15)11-20-16(22)21-12-14-6-4-5-9-18-14/h4-10H,11-12H2,1-3H3,(H2,20,21,22)
InChIKeyBOEJXJBLLRWCLG-UHFFFAOYSA-N
XLogP2.65
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]-3-(pyridin-2-ylmethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 86783842
1-[(4-bromophenyl)methyl]-3-(pyridin-2-ylmethyl)urea
CID 108899435
1-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine
CID 110968500
1-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
CID 47134204
2-(1-hydroxycyclohexyl)-N-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]acetamide
CID 110010126
2,2-dimethyl-N,N'-bis(pyridin-2-ylmethyl)propanediamide
CID 108963334
2,2-dimethyl-N-[(4-methylphenyl)methyl]-N'-(pyridin-2-ylmethyl)propanediamide
CID 108961962
1-tert-butyl-3-[(6-methoxy-3-pyridinyl)methyl]urea
CID 115576607
2-methyl-N-[[6-(2-pyridin-2-ylethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62291494
2-methyl-N-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]propanamide
CID 47126081
1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110968587
1-(1-hydroxy-2-methylpentan-2-yl)-3-(pyridin-2-ylmethyl)urea
CID 111714218

Frequently Asked Questions

What is the IUPAC name of 1-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]-3-(pyridin-2-ylmethyl)urea?
The IUPAC name of 1-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]-3-(pyridin-2-ylmethyl)urea (CID 75517689) is 1-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]-3-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 1-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]-3-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 1-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]-3-(pyridin-2-ylmethyl)urea is CC(C)(C)Oc1ccc(CNC(=O)NCc2ccccn2)cn1.
What is the InChIKey of 1-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]-3-(pyridin-2-ylmethyl)urea?
The InChIKey is BOEJXJBLLRWCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-17(2,3)23-15-8-7-13(10-19-15)11-20-16(22)21-12-14-6-4-5-9-18-14/h4-10H,11-12H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]-3-(pyridin-2-ylmethyl)urea?
1-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]-3-(pyridin-2-ylmethyl)urea has a molecular weight of 314.39 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]-3-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 75517689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).