2-N-benzyl-6-methoxypyridine-2,5-diamine

C13H15N3O — CID 43261004

IUPAC2-N-benzyl-6-methoxypyridine-2,5-diamine
SMILESCOc1nc(NCc2ccccc2)ccc1N
InChIInChI=1S/C13H15N3O/c1-17-13-11(14)7-8-12(16-13)15-9-10-5-3-2-4-6-10/h2-8H,9,14H2,1H3,(H,15,16)
InChIKeyDTUCOIWSKFRMCY-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.28
Rot. Bonds4

About 2-N-benzyl-6-methoxypyridine-2,5-diamine

2-N-benzyl-6-methoxypyridine-2,5-diamine (PubChem CID 43261004) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-N-benzyl-6-methoxypyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-benzyl-6-methoxypyridine-2,5-diamine
PubChem CID43261004
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name2-N-benzyl-6-methoxypyridine-2,5-diamine
SMILESCOc1nc(NCc2ccccc2)ccc1N
InChIInChI=1S/C13H15N3O/c1-17-13-11(14)7-8-12(16-13)15-9-10-5-3-2-4-6-10/h2-8H,9,14H2,1H3,(H,15,16)
InChIKeyDTUCOIWSKFRMCY-UHFFFAOYSA-N
XLogP2.28
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-N-benzyl-6-methoxypyridine-2,5-diamine 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-methoxy-2-N-[(2-methoxyphenyl)methyl]pyridine-2,5-diamine
CID 43260997
6-methoxy-2-N-(naphthalen-1-ylmethyl)pyridine-2,5-diamine
CID 62369756
2-N-[(2-chlorophenyl)methyl]-6-methoxypyridine-2,5-diamine
CID 43261047
2-[(5-amino-6-methoxy-2-pyridinyl)amino]-1-phenylethanol
CID 43498862
6-ethoxy-2-N-[(3-methoxyphenyl)methyl]pyridine-2,5-diamine
CID 61028652
6-methoxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine
CID 43261093
6-N-[(3-methoxyphenyl)methyl]pyridine-2,3,6-triamine
CID 79826816
2-[(5-amino-6-methoxy-2-pyridinyl)amino]acetamide
CID 43260954
2-methoxy-6-phenylmethoxypyridin-3-amine
CID 43261924
6-ethoxy-2-N-[(4-methylphenyl)methyl]pyridine-2,5-diamine
CID 43261190
6-methoxy-2-N-(2-methylbutan-2-yl)pyridine-2,5-diamine
CID 43261292
2-[(5-amino-6-methoxy-2-pyridinyl)amino]-2-methylpropan-1-ol
CID 43498830

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-6-methoxypyridine-2,5-diamine?
The IUPAC name of 2-N-benzyl-6-methoxypyridine-2,5-diamine (CID 43261004) is 2-N-benzyl-6-methoxypyridine-2,5-diamine.
What is the SMILES notation for 2-N-benzyl-6-methoxypyridine-2,5-diamine?
The canonical SMILES for 2-N-benzyl-6-methoxypyridine-2,5-diamine is COc1nc(NCc2ccccc2)ccc1N.
What is the InChIKey of 2-N-benzyl-6-methoxypyridine-2,5-diamine?
The InChIKey is DTUCOIWSKFRMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-17-13-11(14)7-8-12(16-13)15-9-10-5-3-2-4-6-10/h2-8H,9,14H2,1H3,(H,15,16).
What are the key properties of 2-N-benzyl-6-methoxypyridine-2,5-diamine?
2-N-benzyl-6-methoxypyridine-2,5-diamine has a molecular weight of 229.28 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-6-methoxypyridine-2,5-diamine is sourced from PubChem (CID 43261004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).