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

C20H21N3O5 — CID 121196851

IUPAC1-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-(3,4,5-trimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)NCc2ccc(-c3ccoc3)nc2)cc(OC)c1OC
InChIInChI=1S/C20H21N3O5/c1-25-17-8-15(9-18(26-2)19(17)27-3)23-20(24)22-11-13-4-5-16(21-10-13)14-6-7-28-12-14/h4-10,12H,11H2,1-3H3,(H2,22,23,24)
InChIKeyJIYVEOONECEYCV-UHFFFAOYSA-N
MW383.40 g/mol
LogP3.69
Rot. Bonds7

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

1-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-(3,4,5-trimethoxyphenyl)urea (PubChem CID 121196851) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is 1-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-(3,4,5-trimethoxyphenyl)urea.

Molecular Properties

Compound Name1-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-(3,4,5-trimethoxyphenyl)urea
PubChem CID121196851
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC Name1-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-(3,4,5-trimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)NCc2ccc(-c3ccoc3)nc2)cc(OC)c1OC
InChIInChI=1S/C20H21N3O5/c1-25-17-8-15(9-18(26-2)19(17)27-3)23-20(24)22-11-13-4-5-16(21-10-13)14-6-7-28-12-14/h4-10,12H,11H2,1-3H3,(H2,22,23,24)
InChIKeyJIYVEOONECEYCV-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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Related Compounds

1-[[6-(furan-2-yl)-3-pyridinyl]methyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 91625574
2-(3,4-dimethoxyphenyl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]acetamide
CID 121196651
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-methoxybenzamide
CID 121196612
1-[(4-bromophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 108866786
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-phenylbutanamide
CID 121196825
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]cyclohexanecarboxamide
CID 121196766
1-[(3-methyl-4-oxophthalazin-1-yl)methyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 71779482
2-fluoro-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]benzamide
CID 121196604
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 119105213
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 121196615
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-(3-methylthiophen-2-yl)propanamide
CID 121196683
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]propanamide
CID 121196701

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-(3,4,5-trimethoxyphenyl)urea?
The IUPAC name of 1-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-(3,4,5-trimethoxyphenyl)urea (CID 121196851) is 1-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-(3,4,5-trimethoxyphenyl)urea.
What is the SMILES notation for 1-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-(3,4,5-trimethoxyphenyl)urea?
The canonical SMILES for 1-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-(3,4,5-trimethoxyphenyl)urea is COc1cc(NC(=O)NCc2ccc(-c3ccoc3)nc2)cc(OC)c1OC.
What is the InChIKey of 1-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-(3,4,5-trimethoxyphenyl)urea?
The InChIKey is JIYVEOONECEYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-25-17-8-15(9-18(26-2)19(17)27-3)23-20(24)22-11-13-4-5-16(21-10-13)14-6-7-28-12-14/h4-10,12H,11H2,1-3H3,(H2,22,23,24).
What are the key properties of 1-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-(3,4,5-trimethoxyphenyl)urea?
1-[[6-(furan-3-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-3-yl)-3-pyridinyl]methyl]-3-(3,4,5-trimethoxyphenyl)urea is sourced from PubChem (CID 121196851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).