3,5-diamino-N-(6-methoxy-3-pyridinyl)benzamide

C13H14N4O2 — CID 61090732

IUPAC3,5-diamino-N-(6-methoxy-3-pyridinyl)benzamide
SMILESCOc1ccc(NC(=O)c2cc(N)cc(N)c2)cn1
InChIInChI=1S/C13H14N4O2/c1-19-12-3-2-11(7-16-12)17-13(18)8-4-9(14)6-10(15)5-8/h2-7H,14-15H2,1H3,(H,17,18)
InChIKeyGFGHDUWRARIRSS-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.51
Rot. Bonds3

About 3,5-diamino-N-(6-methoxy-3-pyridinyl)benzamide

3,5-diamino-N-(6-methoxy-3-pyridinyl)benzamide (PubChem CID 61090732) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 3,5-diamino-N-(6-methoxy-3-pyridinyl)benzamide.

Molecular Properties

Compound Name3,5-diamino-N-(6-methoxy-3-pyridinyl)benzamide
PubChem CID61090732
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name3,5-diamino-N-(6-methoxy-3-pyridinyl)benzamide
SMILESCOc1ccc(NC(=O)c2cc(N)cc(N)c2)cn1
InChIInChI=1S/C13H14N4O2/c1-19-12-3-2-11(7-16-12)17-13(18)8-4-9(14)6-10(15)5-8/h2-7H,14-15H2,1H3,(H,17,18)
InChIKeyGFGHDUWRARIRSS-UHFFFAOYSA-N
XLogP1.51
TPSA103.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3,5-diamino-N-(6-methoxy-3-pyridinyl)benzamide 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

6-amino-N-(6-methoxy-3-pyridinyl)pyridine-3-carboxamide
CID 62060168
3,4,5-triethoxy-N-(6-methoxy-3-pyridinyl)benzamide
CID 7478549
3-carbamothioyl-N-(6-methoxy-3-pyridinyl)benzamide
CID 24707094
N-(6-methoxy-3-pyridinyl)-2-oxo-1H-pyridine-4-carboxamide
CID 113257121
5-amino-N-(6-methoxy-3-pyridinyl)-2,4-dimethylbenzamide
CID 102704818
2-N-(6-methoxy-3-pyridinyl)pyridine-2,5-dicarboxamide
CID 154047378
4-amino-N-(6-methoxy-3-pyridinyl)-5-methylthiophene-2-carboxamide
CID 61091487
4-bromo-3-fluoro-N-(6-methoxy-3-pyridinyl)benzamide
CID 47421902
2-amino-4,6-dimethoxy-N-(6-methoxy-3-pyridinyl)benzamide
CID 11630852
4-amino-N-[2-[(6-methoxy-3-pyridinyl)amino]-2-oxoethyl]benzamide
CID 43822670
N-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 17466734
ethyl N-[3-[(6-methoxy-3-pyridinyl)carbamoyl]phenyl]carbamate
CID 9210948

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-(6-methoxy-3-pyridinyl)benzamide?
The IUPAC name of 3,5-diamino-N-(6-methoxy-3-pyridinyl)benzamide (CID 61090732) is 3,5-diamino-N-(6-methoxy-3-pyridinyl)benzamide.
What is the SMILES notation for 3,5-diamino-N-(6-methoxy-3-pyridinyl)benzamide?
The canonical SMILES for 3,5-diamino-N-(6-methoxy-3-pyridinyl)benzamide is COc1ccc(NC(=O)c2cc(N)cc(N)c2)cn1.
What is the InChIKey of 3,5-diamino-N-(6-methoxy-3-pyridinyl)benzamide?
The InChIKey is GFGHDUWRARIRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-19-12-3-2-11(7-16-12)17-13(18)8-4-9(14)6-10(15)5-8/h2-7H,14-15H2,1H3,(H,17,18).
What are the key properties of 3,5-diamino-N-(6-methoxy-3-pyridinyl)benzamide?
3,5-diamino-N-(6-methoxy-3-pyridinyl)benzamide has a molecular weight of 258.28 g/mol, XLogP of 1.51, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-(6-methoxy-3-pyridinyl)benzamide is sourced from PubChem (CID 61090732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).