N-benzyl-6-(furan-2-yl)-2-methoxypurine-9-carboxamide

C18H15N5O3 — CID 10132529

IUPACN-benzyl-6-(furan-2-yl)-2-methoxypurine-9-carboxamide
SMILESCOc1nc(-c2ccco2)c2ncn(C(=O)NCc3ccccc3)c2n1
InChIInChI=1S/C18H15N5O3/c1-25-17-21-14(13-8-5-9-26-13)15-16(22-17)23(11-20-15)18(24)19-10-12-6-3-2-4-7-12/h2-9,11H,10H2,1H3,(H,19,24)
InChIKeyJREWZOTXARJEGR-UHFFFAOYSA-N
MW349.35 g/mol
LogP2.85
Rot. Bonds4

About N-benzyl-6-(furan-2-yl)-2-methoxypurine-9-carboxamide

N-benzyl-6-(furan-2-yl)-2-methoxypurine-9-carboxamide (PubChem CID 10132529) has the molecular formula C18H15N5O3 and a molecular weight of 349.35 g/mol. Its IUPAC name is N-benzyl-6-(furan-2-yl)-2-methoxypurine-9-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(furan-2-yl)-2-methoxypurine-9-carboxamide
PubChem CID10132529
Molecular FormulaC18H15N5O3
Molecular Weight349.35 g/mol
Exact Mass349.12
IUPAC NameN-benzyl-6-(furan-2-yl)-2-methoxypurine-9-carboxamide
SMILESCOc1nc(-c2ccco2)c2ncn(C(=O)NCc3ccccc3)c2n1
InChIInChI=1S/C18H15N5O3/c1-25-17-21-14(13-8-5-9-26-13)15-16(22-17)23(11-20-15)18(24)19-10-12-6-3-2-4-7-12/h2-9,11H,10H2,1H3,(H,19,24)
InChIKeyJREWZOTXARJEGR-UHFFFAOYSA-N
XLogP2.85
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-benzyl-6-(furan-2-yl)-2-methoxypurine-9-carboxamide 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 N-benzyl-6-(furan-2-yl)-2-methoxypurine-9-carboxamide?
The IUPAC name of N-benzyl-6-(furan-2-yl)-2-methoxypurine-9-carboxamide (CID 10132529) is N-benzyl-6-(furan-2-yl)-2-methoxypurine-9-carboxamide.
What is the SMILES notation for N-benzyl-6-(furan-2-yl)-2-methoxypurine-9-carboxamide?
The canonical SMILES for N-benzyl-6-(furan-2-yl)-2-methoxypurine-9-carboxamide is COc1nc(-c2ccco2)c2ncn(C(=O)NCc3ccccc3)c2n1.
What is the InChIKey of N-benzyl-6-(furan-2-yl)-2-methoxypurine-9-carboxamide?
The InChIKey is JREWZOTXARJEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O3/c1-25-17-21-14(13-8-5-9-26-13)15-16(22-17)23(11-20-15)18(24)19-10-12-6-3-2-4-7-12/h2-9,11H,10H2,1H3,(H,19,24).
What are the key properties of N-benzyl-6-(furan-2-yl)-2-methoxypurine-9-carboxamide?
N-benzyl-6-(furan-2-yl)-2-methoxypurine-9-carboxamide has a molecular weight of 349.35 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(furan-2-yl)-2-methoxypurine-9-carboxamide is sourced from PubChem (CID 10132529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).