1-[[6-(furan-2-yl)-3-pyridinyl]methyl]-3-(3,4,5-trimethoxyphenyl)urea

C20H21N3O5 — CID 91625574

IUPAC1-[[6-(furan-2-yl)-3-pyridinyl]methyl]-3-(3,4,5-trimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)NCc2ccc(-c3ccco3)nc2)cc(OC)c1OC
InChIInChI=1S/C20H21N3O5/c1-25-17-9-14(10-18(26-2)19(17)27-3)23-20(24)22-12-13-6-7-15(21-11-13)16-5-4-8-28-16/h4-11H,12H2,1-3H3,(H2,22,23,24)
InChIKeyFKZXHTSOSYTHAP-UHFFFAOYSA-N
MW383.40 g/mol
LogP3.69
Rot. Bonds7

About 1-[[6-(furan-2-yl)-3-pyridinyl]methyl]-3-(3,4,5-trimethoxyphenyl)urea

1-[[6-(furan-2-yl)-3-pyridinyl]methyl]-3-(3,4,5-trimethoxyphenyl)urea (PubChem CID 91625574) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is 1-[[6-(furan-2-yl)-3-pyridinyl]methyl]-3-(3,4,5-trimethoxyphenyl)urea.

Molecular Properties

Compound Name1-[[6-(furan-2-yl)-3-pyridinyl]methyl]-3-(3,4,5-trimethoxyphenyl)urea
PubChem CID91625574
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC Name1-[[6-(furan-2-yl)-3-pyridinyl]methyl]-3-(3,4,5-trimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)NCc2ccc(-c3ccco3)nc2)cc(OC)c1OC
InChIInChI=1S/C20H21N3O5/c1-25-17-9-14(10-18(26-2)19(17)27-3)23-20(24)22-12-13-6-7-15(21-11-13)16-5-4-8-28-16/h4-11H,12H2,1-3H3,(H2,22,23,24)
InChIKeyFKZXHTSOSYTHAP-UHFFFAOYSA-N
XLogP3.69
TPSA94.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-(furan-2-yl)-3-pyridinyl]methyl]-3-(3,4,5-trimethoxyphenyl)urea?
The IUPAC name of 1-[[6-(furan-2-yl)-3-pyridinyl]methyl]-3-(3,4,5-trimethoxyphenyl)urea (CID 91625574) is 1-[[6-(furan-2-yl)-3-pyridinyl]methyl]-3-(3,4,5-trimethoxyphenyl)urea.
What is the SMILES notation for 1-[[6-(furan-2-yl)-3-pyridinyl]methyl]-3-(3,4,5-trimethoxyphenyl)urea?
The canonical SMILES for 1-[[6-(furan-2-yl)-3-pyridinyl]methyl]-3-(3,4,5-trimethoxyphenyl)urea is COc1cc(NC(=O)NCc2ccc(-c3ccco3)nc2)cc(OC)c1OC.
What is the InChIKey of 1-[[6-(furan-2-yl)-3-pyridinyl]methyl]-3-(3,4,5-trimethoxyphenyl)urea?
The InChIKey is FKZXHTSOSYTHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-25-17-9-14(10-18(26-2)19(17)27-3)23-20(24)22-12-13-6-7-15(21-11-13)16-5-4-8-28-16/h4-11H,12H2,1-3H3,(H2,22,23,24).
What are the key properties of 1-[[6-(furan-2-yl)-3-pyridinyl]methyl]-3-(3,4,5-trimethoxyphenyl)urea?
1-[[6-(furan-2-yl)-3-pyridinyl]methyl]-3-(3,4,5-trimethoxyphenyl)urea has a molecular weight of 383.40 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(furan-2-yl)-3-pyridinyl]methyl]-3-(3,4,5-trimethoxyphenyl)urea is sourced from PubChem (CID 91625574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).