1-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-(2-methoxyphenyl)urea

C18H17N3O3 — CID 121197252

IUPAC1-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NCc1cncc(-c2ccco2)c1
InChIInChI=1S/C18H17N3O3/c1-23-17-6-3-2-5-15(17)21-18(22)20-11-13-9-14(12-19-10-13)16-7-4-8-24-16/h2-10,12H,11H2,1H3,(H2,20,21,22)
InChIKeyXOLWVHBRMBGHGE-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.67
Rot. Bonds5

About 1-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-(2-methoxyphenyl)urea

1-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-(2-methoxyphenyl)urea (PubChem CID 121197252) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 1-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-(2-methoxyphenyl)urea
PubChem CID121197252
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name1-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NCc1cncc(-c2ccco2)c1
InChIInChI=1S/C18H17N3O3/c1-23-17-6-3-2-5-15(17)21-18(22)20-11-13-9-14(12-19-10-13)16-7-4-8-24-16/h2-10,12H,11H2,1H3,(H2,20,21,22)
InChIKeyXOLWVHBRMBGHGE-UHFFFAOYSA-N
XLogP3.67
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyphenyl)-3-[(5-thiophen-2-yl-3-pyridinyl)methyl]urea
CID 91630693
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3,4-dimethoxybenzamide
CID 121197008
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 121196995
1-(3,4-dichlorophenyl)-3-[[5-(furan-2-yl)-3-pyridinyl]methyl]urea
CID 121197225
3-[[5-(furan-2-yl)-3-pyridinyl]methyl]-1,1-dimethylurea
CID 121197182
1-[(3,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)urea
CID 3844619
1-(2-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3723719
1-(5-chloro-2-methoxyphenyl)-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea
CID 119105195
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2-pyrrol-1-ylacetamide
CID 121197083
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]quinoline-2-carboxamide
CID 121197126
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-4-(trifluoromethyl)benzamide
CID 121197015
2-(1-adamantyl)-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]acetamide
CID 121197067

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-(2-methoxyphenyl)urea (CID 121197252) is 1-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)NCc1cncc(-c2ccco2)c1.
What is the InChIKey of 1-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-(2-methoxyphenyl)urea?
The InChIKey is XOLWVHBRMBGHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-23-17-6-3-2-5-15(17)21-18(22)20-11-13-9-14(12-19-10-13)16-7-4-8-24-16/h2-10,12H,11H2,1H3,(H2,20,21,22).
What are the key properties of 1-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-(2-methoxyphenyl)urea?
1-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-(2-methoxyphenyl)urea has a molecular weight of 323.35 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 121197252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).