1,1-dimethyl-3-(2-pyridin-3-ylethyl)urea

C10H15N3O — CID 110872248

IUPAC1,1-dimethyl-3-(2-pyridin-3-ylethyl)urea
SMILESCN(C)C(=O)NCCc1cccnc1
InChIInChI=1S/C10H15N3O/c1-13(2)10(14)12-7-5-9-4-3-6-11-8-9/h3-4,6,8H,5,7H2,1-2H3,(H,12,14)
InChIKeyUXCXELIMUQKDKZ-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.90
Rot. Bonds3

About 1,1-dimethyl-3-(2-pyridin-3-ylethyl)urea

1,1-dimethyl-3-(2-pyridin-3-ylethyl)urea (PubChem CID 110872248) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 1,1-dimethyl-3-(2-pyridin-3-ylethyl)urea.

Molecular Properties

Compound Name1,1-dimethyl-3-(2-pyridin-3-ylethyl)urea
PubChem CID110872248
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name1,1-dimethyl-3-(2-pyridin-3-ylethyl)urea
SMILESCN(C)C(=O)NCCc1cccnc1
InChIInChI=1S/C10H15N3O/c1-13(2)10(14)12-7-5-9-4-3-6-11-8-9/h3-4,6,8H,5,7H2,1-2H3,(H,12,14)
InChIKeyUXCXELIMUQKDKZ-UHFFFAOYSA-N
XLogP0.90
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[carboxymethyl(2-pyridin-3-ylethylcarbamoyl)amino]acetic acid
CID 63645112
1-propyl-3-(2-pyridin-3-ylethyl)urea
CID 115578203
methyl 2-oxo-2-(2-pyridin-3-ylethylamino)acetate
CID 112616794
1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(2-pyridin-3-ylethyl)urea
CID 86855084
1-cyano-N-(2-pyridin-3-ylethyl)formamide
CID 115172568
1-methyl-3-propyl-1-(pyridin-3-ylmethyl)urea
CID 78786415
4-ethyl-N-(2-pyridin-3-ylethyl)thiadiazole-5-carboxamide
CID 30768888
N,N-dimethyl-4-[[[N'-methyl-N-(2-pyridin-3-ylethyl)carbamimidoyl]amino]methyl]benzamide
CID 111874255
2-[(2-methylpropan-2-yl)oxy]-N-(2-pyridin-3-ylethyl)acetamide
CID 112605093
methyl 4-oxo-4-(2-pyridin-3-ylethylamino)butanoate
CID 115174685
1-benzyl-1-prop-2-enyl-3-(2-pyridin-3-ylethyl)urea
CID 87003527
3-butyl-1-methyl-1-(pyridin-3-ylmethyl)urea
CID 78786414

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-(2-pyridin-3-ylethyl)urea?
The IUPAC name of 1,1-dimethyl-3-(2-pyridin-3-ylethyl)urea (CID 110872248) is 1,1-dimethyl-3-(2-pyridin-3-ylethyl)urea.
What is the SMILES notation for 1,1-dimethyl-3-(2-pyridin-3-ylethyl)urea?
The canonical SMILES for 1,1-dimethyl-3-(2-pyridin-3-ylethyl)urea is CN(C)C(=O)NCCc1cccnc1.
What is the InChIKey of 1,1-dimethyl-3-(2-pyridin-3-ylethyl)urea?
The InChIKey is UXCXELIMUQKDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-13(2)10(14)12-7-5-9-4-3-6-11-8-9/h3-4,6,8H,5,7H2,1-2H3,(H,12,14).
What are the key properties of 1,1-dimethyl-3-(2-pyridin-3-ylethyl)urea?
1,1-dimethyl-3-(2-pyridin-3-ylethyl)urea has a molecular weight of 193.25 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-(2-pyridin-3-ylethyl)urea is sourced from PubChem (CID 110872248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).