1-[[6-(furan-2-yl)-3-pyridinyl]methyl]-3-(2-phenylethyl)urea

C19H19N3O2 — CID 91625575

IUPAC1-[[6-(furan-2-yl)-3-pyridinyl]methyl]-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)NCc1ccc(-c2ccco2)nc1
InChIInChI=1S/C19H19N3O2/c23-19(20-11-10-15-5-2-1-3-6-15)22-14-16-8-9-17(21-13-16)18-7-4-12-24-18/h1-9,12-13H,10-11,14H2,(H2,20,22,23)
InChIKeyXUCROFAHJGBBCT-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.38
Rot. Bonds6

About 1-[[6-(furan-2-yl)-3-pyridinyl]methyl]-3-(2-phenylethyl)urea

1-[[6-(furan-2-yl)-3-pyridinyl]methyl]-3-(2-phenylethyl)urea (PubChem CID 91625575) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-[[6-(furan-2-yl)-3-pyridinyl]methyl]-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-[[6-(furan-2-yl)-3-pyridinyl]methyl]-3-(2-phenylethyl)urea
PubChem CID91625575
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name1-[[6-(furan-2-yl)-3-pyridinyl]methyl]-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)NCc1ccc(-c2ccco2)nc1
InChIInChI=1S/C19H19N3O2/c23-19(20-11-10-15-5-2-1-3-6-15)22-14-16-8-9-17(21-13-16)18-7-4-12-24-18/h1-9,12-13H,10-11,14H2,(H2,20,22,23)
InChIKeyXUCROFAHJGBBCT-UHFFFAOYSA-N
XLogP3.38
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-benzodioxol-5-ylmethyl)-3-[[6-(furan-2-yl)-3-pyridinyl]methyl]urea
CID 91625580
1-[[6-(furan-2-yl)-3-pyridinyl]methyl]-3-thiophen-2-ylurea
CID 91816080
N-[[6-(furan-2-yl)-3-pyridinyl]methyl]thiophene-2-carboxamide
CID 91625527
1-(2-phenylethyl)-3-(pyridin-3-ylmethyl)urea
CID 38157149
1-[[6-(furan-2-yl)-3-pyridinyl]methyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 91625574
1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(2-phenylethyl)urea
CID 36507075
1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(2-phenylethyl)urea
CID 55739819
1-[4-(furan-2-yl)pyrimidin-2-yl]-5-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide
CID 26320964
1-[(3-fluorophenyl)methyl]-3-(2-phenylethyl)urea
CID 47172429
1-[(3-bromophenyl)methyl]-3-(2-phenylethyl)urea
CID 60601402
N-[4-(2-phenylethylcarbamoylamino)phenyl]furan-2-carboxamide
CID 38205482
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 111422873

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(furan-2-yl)-3-pyridinyl]methyl]-3-(2-phenylethyl)urea?
The IUPAC name of 1-[[6-(furan-2-yl)-3-pyridinyl]methyl]-3-(2-phenylethyl)urea (CID 91625575) is 1-[[6-(furan-2-yl)-3-pyridinyl]methyl]-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-[[6-(furan-2-yl)-3-pyridinyl]methyl]-3-(2-phenylethyl)urea?
The canonical SMILES for 1-[[6-(furan-2-yl)-3-pyridinyl]methyl]-3-(2-phenylethyl)urea is O=C(NCCc1ccccc1)NCc1ccc(-c2ccco2)nc1.
What is the InChIKey of 1-[[6-(furan-2-yl)-3-pyridinyl]methyl]-3-(2-phenylethyl)urea?
The InChIKey is XUCROFAHJGBBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c23-19(20-11-10-15-5-2-1-3-6-15)22-14-16-8-9-17(21-13-16)18-7-4-12-24-18/h1-9,12-13H,10-11,14H2,(H2,20,22,23).
What are the key properties of 1-[[6-(furan-2-yl)-3-pyridinyl]methyl]-3-(2-phenylethyl)urea?
1-[[6-(furan-2-yl)-3-pyridinyl]methyl]-3-(2-phenylethyl)urea has a molecular weight of 321.38 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(furan-2-yl)-3-pyridinyl]methyl]-3-(2-phenylethyl)urea is sourced from PubChem (CID 91625575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).