3-[[5-(furan-2-yl)-3-pyridinyl]methyl]-1,1-dimethylurea

C13H15N3O2 — CID 121197182

IUPAC3-[[5-(furan-2-yl)-3-pyridinyl]methyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCc1cncc(-c2ccco2)c1
InChIInChI=1S/C13H15N3O2/c1-16(2)13(17)15-8-10-6-11(9-14-7-10)12-4-3-5-18-12/h3-7,9H,8H2,1-2H3,(H,15,17)
InChIKeyXTIHEUMDBLDUHB-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.11
Rot. Bonds3

About 3-[[5-(furan-2-yl)-3-pyridinyl]methyl]-1,1-dimethylurea

3-[[5-(furan-2-yl)-3-pyridinyl]methyl]-1,1-dimethylurea (PubChem CID 121197182) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-[[5-(furan-2-yl)-3-pyridinyl]methyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[[5-(furan-2-yl)-3-pyridinyl]methyl]-1,1-dimethylurea
PubChem CID121197182
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name3-[[5-(furan-2-yl)-3-pyridinyl]methyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCc1cncc(-c2ccco2)c1
InChIInChI=1S/C13H15N3O2/c1-16(2)13(17)15-8-10-6-11(9-14-7-10)12-4-3-5-18-12/h3-7,9H,8H2,1-2H3,(H,15,17)
InChIKeyXTIHEUMDBLDUHB-UHFFFAOYSA-N
XLogP2.11
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 121196995
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2-pyrrol-1-ylacetamide
CID 121197083
2-bromo-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide
CID 121197121
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 121022646
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-4-(trifluoromethyl)benzamide
CID 121197015
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3,4-dimethoxybenzamide
CID 121197008
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 121197168
1-(3,4-dichlorophenyl)-3-[[5-(furan-2-yl)-3-pyridinyl]methyl]urea
CID 121197225
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2-phenylmethoxyacetamide
CID 121197178
4-bromo-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]thiophene-2-carboxamide
CID 119105467
1-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-(2-methoxyphenyl)urea
CID 121197252
2-ethylsulfanyl-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide
CID 121197010

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(furan-2-yl)-3-pyridinyl]methyl]-1,1-dimethylurea?
The IUPAC name of 3-[[5-(furan-2-yl)-3-pyridinyl]methyl]-1,1-dimethylurea (CID 121197182) is 3-[[5-(furan-2-yl)-3-pyridinyl]methyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[[5-(furan-2-yl)-3-pyridinyl]methyl]-1,1-dimethylurea?
The canonical SMILES for 3-[[5-(furan-2-yl)-3-pyridinyl]methyl]-1,1-dimethylurea is CN(C)C(=O)NCc1cncc(-c2ccco2)c1.
What is the InChIKey of 3-[[5-(furan-2-yl)-3-pyridinyl]methyl]-1,1-dimethylurea?
The InChIKey is XTIHEUMDBLDUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-16(2)13(17)15-8-10-6-11(9-14-7-10)12-4-3-5-18-12/h3-7,9H,8H2,1-2H3,(H,15,17).
What are the key properties of 3-[[5-(furan-2-yl)-3-pyridinyl]methyl]-1,1-dimethylurea?
3-[[5-(furan-2-yl)-3-pyridinyl]methyl]-1,1-dimethylurea has a molecular weight of 245.28 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(furan-2-yl)-3-pyridinyl]methyl]-1,1-dimethylurea is sourced from PubChem (CID 121197182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).