2,6-diamino-N-[(6-ethoxy-1-benzofuran-2-yl)methyl]pyridine-3-carboxamide

C17H18N4O3 — CID 11960730

IUPAC2,6-diamino-N-[(6-ethoxy-1-benzofuran-2-yl)methyl]pyridine-3-carboxamide
SMILESCCOc1ccc2cc(CNC(=O)c3ccc(N)nc3N)oc2c1
InChIInChI=1S/C17H18N4O3/c1-2-23-11-4-3-10-7-12(24-14(10)8-11)9-20-17(22)13-5-6-15(18)21-16(13)19/h3-8H,2,9H2,1H3,(H,20,22)(H4,18,19,21)
InChIKeyOEEVROHWNMFGEP-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.32
Rot. Bonds5

About 2,6-diamino-N-[(6-ethoxy-1-benzofuran-2-yl)methyl]pyridine-3-carboxamide

2,6-diamino-N-[(6-ethoxy-1-benzofuran-2-yl)methyl]pyridine-3-carboxamide (PubChem CID 11960730) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 2,6-diamino-N-[(6-ethoxy-1-benzofuran-2-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-diamino-N-[(6-ethoxy-1-benzofuran-2-yl)methyl]pyridine-3-carboxamide
PubChem CID11960730
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name2,6-diamino-N-[(6-ethoxy-1-benzofuran-2-yl)methyl]pyridine-3-carboxamide
SMILESCCOc1ccc2cc(CNC(=O)c3ccc(N)nc3N)oc2c1
InChIInChI=1S/C17H18N4O3/c1-2-23-11-4-3-10-7-12(24-14(10)8-11)9-20-17(22)13-5-6-15(18)21-16(13)19/h3-8H,2,9H2,1H3,(H,20,22)(H4,18,19,21)
InChIKeyOEEVROHWNMFGEP-UHFFFAOYSA-N
XLogP2.32
TPSA116.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2,6-diamino-N-[(6-ethoxy-1-benzofuran-2-yl)methyl]pyridine-3-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 2,6-diamino-N-[(6-ethoxy-1-benzofuran-2-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2,6-diamino-N-[(6-ethoxy-1-benzofuran-2-yl)methyl]pyridine-3-carboxamide (CID 11960730) is 2,6-diamino-N-[(6-ethoxy-1-benzofuran-2-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2,6-diamino-N-[(6-ethoxy-1-benzofuran-2-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2,6-diamino-N-[(6-ethoxy-1-benzofuran-2-yl)methyl]pyridine-3-carboxamide is CCOc1ccc2cc(CNC(=O)c3ccc(N)nc3N)oc2c1.
What is the InChIKey of 2,6-diamino-N-[(6-ethoxy-1-benzofuran-2-yl)methyl]pyridine-3-carboxamide?
The InChIKey is OEEVROHWNMFGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-2-23-11-4-3-10-7-12(24-14(10)8-11)9-20-17(22)13-5-6-15(18)21-16(13)19/h3-8H,2,9H2,1H3,(H,20,22)(H4,18,19,21).
What are the key properties of 2,6-diamino-N-[(6-ethoxy-1-benzofuran-2-yl)methyl]pyridine-3-carboxamide?
2,6-diamino-N-[(6-ethoxy-1-benzofuran-2-yl)methyl]pyridine-3-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 2.32, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diamino-N-[(6-ethoxy-1-benzofuran-2-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 11960730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).