1-(2-methylprop-1-enyl)-3-(pyridin-4-ylmethyl)urea

C11H15N3O — CID 108909886

IUPAC1-(2-methylprop-1-enyl)-3-(pyridin-4-ylmethyl)urea
SMILESCC(C)=CNC(=O)NCc1ccncc1
InChIInChI=1S/C11H15N3O/c1-9(2)7-13-11(15)14-8-10-3-5-12-6-4-10/h3-7H,8H2,1-2H3,(H2,13,14,15)
InChIKeyOPIWMWMWQNRRRM-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.80
Rot. Bonds3

About 1-(2-methylprop-1-enyl)-3-(pyridin-4-ylmethyl)urea

1-(2-methylprop-1-enyl)-3-(pyridin-4-ylmethyl)urea (PubChem CID 108909886) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(2-methylprop-1-enyl)-3-(pyridin-4-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-methylprop-1-enyl)-3-(pyridin-4-ylmethyl)urea
PubChem CID108909886
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name1-(2-methylprop-1-enyl)-3-(pyridin-4-ylmethyl)urea
SMILESCC(C)=CNC(=O)NCc1ccncc1
InChIInChI=1S/C11H15N3O/c1-9(2)7-13-11(15)14-8-10-3-5-12-6-4-10/h3-7H,8H2,1-2H3,(H2,13,14,15)
InChIKeyOPIWMWMWQNRRRM-UHFFFAOYSA-N
XLogP1.80
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-3-(pyridin-4-ylmethyl)urea
CID 135231258
1-(4-acetylphenyl)-3-(pyridin-4-ylmethyl)urea
CID 971154
ethane;pyridin-4-ylmethylurea
CID 144877282
2-oxo-N-(pyridin-4-ylmethyl)acetamide
CID 88952293
4-acetyl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 110706314
2-iodo-N-(pyridin-4-ylmethyl)acetamide
CID 138478172
(2S)-3-methylidene-1-N,2-N-bis(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 21177980
6-oxo-6-(pyridin-4-ylmethylcarbamoylamino)hexanoic acid
CID 43447383
2-hydroxy-2-methyl-3-(pyridin-4-ylmethylcarbamoylamino)propanoic acid
CID 66172431
1-[4-(4-methylpiperazin-1-yl)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 110706378
ethyl (Z)-3-(pyridin-4-ylmethylamino)but-2-enoate
CID 70578959
(2S)-3,3-dimethyl-2-(pyridin-4-ylmethylcarbamoylamino)butanoic acid
CID 61194954

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-1-enyl)-3-(pyridin-4-ylmethyl)urea?
The IUPAC name of 1-(2-methylprop-1-enyl)-3-(pyridin-4-ylmethyl)urea (CID 108909886) is 1-(2-methylprop-1-enyl)-3-(pyridin-4-ylmethyl)urea.
What is the SMILES notation for 1-(2-methylprop-1-enyl)-3-(pyridin-4-ylmethyl)urea?
The canonical SMILES for 1-(2-methylprop-1-enyl)-3-(pyridin-4-ylmethyl)urea is CC(C)=CNC(=O)NCc1ccncc1.
What is the InChIKey of 1-(2-methylprop-1-enyl)-3-(pyridin-4-ylmethyl)urea?
The InChIKey is OPIWMWMWQNRRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-9(2)7-13-11(15)14-8-10-3-5-12-6-4-10/h3-7H,8H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-(2-methylprop-1-enyl)-3-(pyridin-4-ylmethyl)urea?
1-(2-methylprop-1-enyl)-3-(pyridin-4-ylmethyl)urea has a molecular weight of 205.26 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-1-enyl)-3-(pyridin-4-ylmethyl)urea is sourced from PubChem (CID 108909886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).