1-[2-(furan-2-yl)ethyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea

C19H19N3O2 — CID 67053096

IUPAC1-[2-(furan-2-yl)ethyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
SMILESCc1cc(-c2ccc(NC(=O)NCCc3ccco3)cc2)ccn1
InChIInChI=1S/C19H19N3O2/c1-14-13-16(8-10-20-14)15-4-6-17(7-5-15)22-19(23)21-11-9-18-3-2-12-24-18/h2-8,10,12-13H,9,11H2,1H3,(H2,21,22,23)
InChIKeyKEPLMXALLQQJNK-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.01
Rot. Bonds5

About 1-[2-(furan-2-yl)ethyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea

1-[2-(furan-2-yl)ethyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea (PubChem CID 67053096) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)ethyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea.

Molecular Properties

Compound Name1-[2-(furan-2-yl)ethyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
PubChem CID67053096
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name1-[2-(furan-2-yl)ethyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
SMILESCc1cc(-c2ccc(NC(=O)NCCc3ccco3)cc2)ccn1
InChIInChI=1S/C19H19N3O2/c1-14-13-16(8-10-20-14)15-4-6-17(7-5-15)22-19(23)21-11-9-18-3-2-12-24-18/h2-8,10,12-13H,9,11H2,1H3,(H2,21,22,23)
InChIKeyKEPLMXALLQQJNK-UHFFFAOYSA-N
XLogP4.01
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)ethyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea?
The IUPAC name of 1-[2-(furan-2-yl)ethyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea (CID 67053096) is 1-[2-(furan-2-yl)ethyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea.
What is the SMILES notation for 1-[2-(furan-2-yl)ethyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea?
The canonical SMILES for 1-[2-(furan-2-yl)ethyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea is Cc1cc(-c2ccc(NC(=O)NCCc3ccco3)cc2)ccn1.
What is the InChIKey of 1-[2-(furan-2-yl)ethyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea?
The InChIKey is KEPLMXALLQQJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-14-13-16(8-10-20-14)15-4-6-17(7-5-15)22-19(23)21-11-9-18-3-2-12-24-18/h2-8,10,12-13H,9,11H2,1H3,(H2,21,22,23).
What are the key properties of 1-[2-(furan-2-yl)ethyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea?
1-[2-(furan-2-yl)ethyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea has a molecular weight of 321.38 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)ethyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea is sourced from PubChem (CID 67053096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).