2-N-[3-(dimethylamino)phenyl]pyridine-2,3-diamine

C13H16N4 — CID 115376029

IUPAC2-N-[3-(dimethylamino)phenyl]pyridine-2,3-diamine
SMILESCN(C)c1cccc(Nc2ncccc2N)c1
InChIInChI=1S/C13H16N4/c1-17(2)11-6-3-5-10(9-11)16-13-12(14)7-4-8-15-13/h3-9H,14H2,1-2H3,(H,15,16)
InChIKeyFSQWFKAHPTXLAO-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.47
Rot. Bonds3

About 2-N-[3-(dimethylamino)phenyl]pyridine-2,3-diamine

2-N-[3-(dimethylamino)phenyl]pyridine-2,3-diamine (PubChem CID 115376029) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-N-[3-(dimethylamino)phenyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-[3-(dimethylamino)phenyl]pyridine-2,3-diamine
PubChem CID115376029
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name2-N-[3-(dimethylamino)phenyl]pyridine-2,3-diamine
SMILESCN(C)c1cccc(Nc2ncccc2N)c1
InChIInChI=1S/C13H16N4/c1-17(2)11-6-3-5-10(9-11)16-13-12(14)7-4-8-15-13/h3-9H,14H2,1-2H3,(H,15,16)
InChIKeyFSQWFKAHPTXLAO-UHFFFAOYSA-N
XLogP2.47
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[3-(dimethylamino)phenyl]-6-methoxypyridine-2,3-diamine
CID 115376043
3-N,3-N-dimethyl-1-N-pyrido[2,3-d]pyrimidin-4-ylbenzene-1,3-diamine
CID 110435229
3-N-[3-(dimethylamino)phenyl]benzene-1,3-diamine
CID 115376107
1-N-(6-hydrazinyl-5-methylpyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 113297977
2-N-quinolin-6-ylpyridine-2,3-diamine
CID 62634591
3-N,3-N-dimethyl-1-N-pyridin-3-ylbenzene-1,3-diamine
CID 82537509
4-N-[3-(dimethylamino)phenyl]pyrimidine-4,6-diamine
CID 66669910
3-chloro-2-N-[3-(dimethylamino)phenyl]benzene-1,2-diamine
CID 113297464
5-N-[3-(dimethylamino)phenyl]pyridine-2,5-diamine
CID 113297468
4-N-[3-(dimethylamino)phenyl]-6-propoxypyrimidine-4,5-diamine
CID 115376024
2-N-[3-(trifluoromethoxy)phenyl]pyridine-2,3-diamine
CID 29067513
2-N-[5-[(3-amino-2-pyridinyl)amino]-2,4-dimethylphenyl]pyridine-2,3-diamine
CID 164754587

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(dimethylamino)phenyl]pyridine-2,3-diamine?
The IUPAC name of 2-N-[3-(dimethylamino)phenyl]pyridine-2,3-diamine (CID 115376029) is 2-N-[3-(dimethylamino)phenyl]pyridine-2,3-diamine.
What is the SMILES notation for 2-N-[3-(dimethylamino)phenyl]pyridine-2,3-diamine?
The canonical SMILES for 2-N-[3-(dimethylamino)phenyl]pyridine-2,3-diamine is CN(C)c1cccc(Nc2ncccc2N)c1.
What is the InChIKey of 2-N-[3-(dimethylamino)phenyl]pyridine-2,3-diamine?
The InChIKey is FSQWFKAHPTXLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-17(2)11-6-3-5-10(9-11)16-13-12(14)7-4-8-15-13/h3-9H,14H2,1-2H3,(H,15,16).
What are the key properties of 2-N-[3-(dimethylamino)phenyl]pyridine-2,3-diamine?
2-N-[3-(dimethylamino)phenyl]pyridine-2,3-diamine has a molecular weight of 228.30 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(dimethylamino)phenyl]pyridine-2,3-diamine is sourced from PubChem (CID 115376029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).