1-(pyridin-4-ylmethyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea

C17H17N3O3 — CID 113199605

IUPAC1-(pyridin-4-ylmethyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea
SMILESO=C(NCc1ccncc1)Nc1c2c(cc3c1OCC3)OCC2
InChIInChI=1S/C17H17N3O3/c21-17(19-10-11-1-5-18-6-2-11)20-15-13-4-8-22-14(13)9-12-3-7-23-16(12)15/h1-2,5-6,9H,3-4,7-8,10H2,(H2,19,20,21)
InChIKeyYIPZLTLEGAHQNY-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.27
Rot. Bonds3

About 1-(pyridin-4-ylmethyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea

1-(pyridin-4-ylmethyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea (PubChem CID 113199605) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 1-(pyridin-4-ylmethyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea.

Molecular Properties

Compound Name1-(pyridin-4-ylmethyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea
PubChem CID113199605
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name1-(pyridin-4-ylmethyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea
SMILESO=C(NCc1ccncc1)Nc1c2c(cc3c1OCC3)OCC2
InChIInChI=1S/C17H17N3O3/c21-17(19-10-11-1-5-18-6-2-11)20-15-13-4-8-22-14(13)9-12-3-7-23-16(12)15/h1-2,5-6,9H,3-4,7-8,10H2,(H2,19,20,21)
InChIKeyYIPZLTLEGAHQNY-UHFFFAOYSA-N
XLogP2.27
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(pyridin-4-ylmethyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-phenylpropyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea
CID 113199636
1-[2-(4-methoxyphenyl)ethyl]-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea
CID 113199612
3,4-dichloro-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzamide
CID 113095408
N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)cyclopropanecarboxamide
CID 113095385
methyl 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylcarbamoylamino)benzoate
CID 113199710
1-[(4-methylphenyl)methyl]-3-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea
CID 113217578
1-(4-chloro-2-methylphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea
CID 113217817
3,4-difluoro-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzamide
CID 113095438
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 135231273
1-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 113217836
1-(2,5-dichlorophenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea
CID 113217861
1-(2-methoxy-5-methylphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea
CID 113199696

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-4-ylmethyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea?
The IUPAC name of 1-(pyridin-4-ylmethyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea (CID 113199605) is 1-(pyridin-4-ylmethyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea.
What is the SMILES notation for 1-(pyridin-4-ylmethyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea?
The canonical SMILES for 1-(pyridin-4-ylmethyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea is O=C(NCc1ccncc1)Nc1c2c(cc3c1OCC3)OCC2.
What is the InChIKey of 1-(pyridin-4-ylmethyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea?
The InChIKey is YIPZLTLEGAHQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c21-17(19-10-11-1-5-18-6-2-11)20-15-13-4-8-22-14(13)9-12-3-7-23-16(12)15/h1-2,5-6,9H,3-4,7-8,10H2,(H2,19,20,21).
What are the key properties of 1-(pyridin-4-ylmethyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea?
1-(pyridin-4-ylmethyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea has a molecular weight of 311.34 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-4-ylmethyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea is sourced from PubChem (CID 113199605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).