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

C23H24N6 — CID 162158889

IUPAC3-N-methyl-2-N-phenylpyridine-2,3-diamine;2-N-phenylpyridine-2,3-diamine
SMILESCNc1cccnc1Nc1ccccc1.Nc1cccnc1Nc1ccccc1
InChIInChI=1S/C12H13N3.C11H11N3/c1-13-11-8-5-9-14-12(11)15-10-6-3-2-4-7-10;12-10-7-4-8-13-11(10)14-9-5-2-1-3-6-9/h2-9,13H,1H3,(H,14,15);1-8H,12H2,(H,13,14)
InChIKeyZMEWARUGIIROJK-UHFFFAOYSA-N
MW384.49 g/mol
LogP5.27
Rot. Bonds5

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

3-N-methyl-2-N-phenylpyridine-2,3-diamine;2-N-phenylpyridine-2,3-diamine (PubChem CID 162158889) has the molecular formula C23H24N6 and a molecular weight of 384.49 g/mol. Its IUPAC name is 3-N-methyl-2-N-phenylpyridine-2,3-diamine;2-N-phenylpyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-methyl-2-N-phenylpyridine-2,3-diamine;2-N-phenylpyridine-2,3-diamine
PubChem CID162158889
Molecular FormulaC23H24N6
Molecular Weight384.49 g/mol
Exact Mass384.21
IUPAC Name3-N-methyl-2-N-phenylpyridine-2,3-diamine;2-N-phenylpyridine-2,3-diamine
SMILESCNc1cccnc1Nc1ccccc1.Nc1cccnc1Nc1ccccc1
InChIInChI=1S/C12H13N3.C11H11N3/c1-13-11-8-5-9-14-12(11)15-10-6-3-2-4-7-10;12-10-7-4-8-13-11(10)14-9-5-2-1-3-6-9/h2-9,13H,1H3,(H,14,15);1-8H,12H2,(H,13,14)
InChIKeyZMEWARUGIIROJK-UHFFFAOYSA-N
XLogP5.27
TPSA87.89 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.49
LogP ≤ 55.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-N,3-N-diphenylpyridine-2,3-diamine
CID 161485713
2-N-(2-methylphenyl)pyridine-2,3-diamine
CID 13143782
bis(2-N-phenyl-3-N-(2-phenylphenyl)pyridine-2,3-diamine);chloride
CID 159188307
2-N-[3-(dimethylamino)phenyl]pyridine-2,3-diamine
CID 115376029
2-N-[5-[(3-amino-2-pyridinyl)amino]-2,4-dimethylphenyl]pyridine-2,3-diamine
CID 164754587
2-N-[3-(2-fluorophenyl)phenyl]pyridine-2,3-diamine
CID 22724094
2-anilinopyridin-3-ol
CID 13314045
2-N-thiophen-3-ylpyridine-2,3-diamine
CID 66349916
2-N-[2-(2-methoxyethyl)phenyl]pyridine-2,3-diamine
CID 102903407
ethyl 4-[(3-amino-2-pyridinyl)amino]benzoate;ethyl 4-[[3-(pyridine-2-carbonylamino)-2-pyridinyl]amino]benzoate
CID 160687820
2-[[(3-anilino-2-pyridinyl)-methylamino]-methylamino]-N-phenylpyridin-3-amine
CID 129150933
2-N-quinolin-6-ylpyridine-2,3-diamine
CID 62634591

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-2-N-phenylpyridine-2,3-diamine;2-N-phenylpyridine-2,3-diamine?
The IUPAC name of 3-N-methyl-2-N-phenylpyridine-2,3-diamine;2-N-phenylpyridine-2,3-diamine (CID 162158889) is 3-N-methyl-2-N-phenylpyridine-2,3-diamine;2-N-phenylpyridine-2,3-diamine.
What is the SMILES notation for 3-N-methyl-2-N-phenylpyridine-2,3-diamine;2-N-phenylpyridine-2,3-diamine?
The canonical SMILES for 3-N-methyl-2-N-phenylpyridine-2,3-diamine;2-N-phenylpyridine-2,3-diamine is CNc1cccnc1Nc1ccccc1.Nc1cccnc1Nc1ccccc1.
What is the InChIKey of 3-N-methyl-2-N-phenylpyridine-2,3-diamine;2-N-phenylpyridine-2,3-diamine?
The InChIKey is ZMEWARUGIIROJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3.C11H11N3/c1-13-11-8-5-9-14-12(11)15-10-6-3-2-4-7-10;12-10-7-4-8-13-11(10)14-9-5-2-1-3-6-9/h2-9,13H,1H3,(H,14,15);1-8H,12H2,(H,13,14).
What are the key properties of 3-N-methyl-2-N-phenylpyridine-2,3-diamine;2-N-phenylpyridine-2,3-diamine?
3-N-methyl-2-N-phenylpyridine-2,3-diamine;2-N-phenylpyridine-2,3-diamine has a molecular weight of 384.49 g/mol, XLogP of 5.27, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-2-N-phenylpyridine-2,3-diamine;2-N-phenylpyridine-2,3-diamine is sourced from PubChem (CID 162158889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).