3-N-methyl-5-phenylpyridine-2,3-diamine

C12H13N3 — CID 4121982

IUPAC3-N-methyl-5-phenylpyridine-2,3-diamine
SMILESCNc1cc(-c2ccccc2)cnc1N
InChIInChI=1S/C12H13N3/c1-14-11-7-10(8-15-12(11)13)9-5-3-2-4-6-9/h2-8,14H,1H3,(H2,13,15)
InChIKeyZZARKLLLBRWNNV-UHFFFAOYSA-N
MW199.26 g/mol
LogP2.37
Rot. Bonds2

About 3-N-methyl-5-phenylpyridine-2,3-diamine

3-N-methyl-5-phenylpyridine-2,3-diamine (PubChem CID 4121982) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 3-N-methyl-5-phenylpyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-methyl-5-phenylpyridine-2,3-diamine
PubChem CID4121982
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name3-N-methyl-5-phenylpyridine-2,3-diamine
SMILESCNc1cc(-c2ccccc2)cnc1N
InChIInChI=1S/C12H13N3/c1-14-11-7-10(8-15-12(11)13)9-5-3-2-4-6-9/h2-8,14H,1H3,(H2,13,15)
InChIKeyZZARKLLLBRWNNV-UHFFFAOYSA-N
XLogP2.37
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-5-phenylpyridine-2,3-diamine?
The IUPAC name of 3-N-methyl-5-phenylpyridine-2,3-diamine (CID 4121982) is 3-N-methyl-5-phenylpyridine-2,3-diamine.
What is the SMILES notation for 3-N-methyl-5-phenylpyridine-2,3-diamine?
The canonical SMILES for 3-N-methyl-5-phenylpyridine-2,3-diamine is CNc1cc(-c2ccccc2)cnc1N.
What is the InChIKey of 3-N-methyl-5-phenylpyridine-2,3-diamine?
The InChIKey is ZZARKLLLBRWNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-14-11-7-10(8-15-12(11)13)9-5-3-2-4-6-9/h2-8,14H,1H3,(H2,13,15).
What are the key properties of 3-N-methyl-5-phenylpyridine-2,3-diamine?
3-N-methyl-5-phenylpyridine-2,3-diamine has a molecular weight of 199.26 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-5-phenylpyridine-2,3-diamine is sourced from PubChem (CID 4121982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).