1-(furan-3-ylmethyl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea

C16H20N4O2 — CID 51084293

IUPAC1-(furan-3-ylmethyl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
SMILESO=C(NCc1ccc(N2CCCC2)nc1)NCc1ccoc1
InChIInChI=1S/C16H20N4O2/c21-16(19-11-14-5-8-22-12-14)18-10-13-3-4-15(17-9-13)20-6-1-2-7-20/h3-5,8-9,12H,1-2,6-7,10-11H2,(H2,18,19,21)
InChIKeyRXRZWEDHFOICOF-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.27
Rot. Bonds5

About 1-(furan-3-ylmethyl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea

1-(furan-3-ylmethyl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea (PubChem CID 51084293) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-(furan-3-ylmethyl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-(furan-3-ylmethyl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
PubChem CID51084293
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name1-(furan-3-ylmethyl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
SMILESO=C(NCc1ccc(N2CCCC2)nc1)NCc1ccoc1
InChIInChI=1S/C16H20N4O2/c21-16(19-11-14-5-8-22-12-14)18-10-13-3-4-15(17-9-13)20-6-1-2-7-20/h3-5,8-9,12H,1-2,6-7,10-11H2,(H2,18,19,21)
InChIKeyRXRZWEDHFOICOF-UHFFFAOYSA-N
XLogP2.27
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(furan-3-ylmethyl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-ylmethyl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea?
The IUPAC name of 1-(furan-3-ylmethyl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea (CID 51084293) is 1-(furan-3-ylmethyl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea.
What is the SMILES notation for 1-(furan-3-ylmethyl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea?
The canonical SMILES for 1-(furan-3-ylmethyl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea is O=C(NCc1ccc(N2CCCC2)nc1)NCc1ccoc1.
What is the InChIKey of 1-(furan-3-ylmethyl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea?
The InChIKey is RXRZWEDHFOICOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c21-16(19-11-14-5-8-22-12-14)18-10-13-3-4-15(17-9-13)20-6-1-2-7-20/h3-5,8-9,12H,1-2,6-7,10-11H2,(H2,18,19,21).
What are the key properties of 1-(furan-3-ylmethyl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea?
1-(furan-3-ylmethyl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea has a molecular weight of 300.36 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-ylmethyl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea is sourced from PubChem (CID 51084293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).