4-N-methyl-4-N-(2-pyridin-3-ylethyl)pyridine-3,4-diamine

C13H16N4 — CID 63262874

IUPAC4-N-methyl-4-N-(2-pyridin-3-ylethyl)pyridine-3,4-diamine
SMILESCN(CCc1cccnc1)c1ccncc1N
InChIInChI=1S/C13H16N4/c1-17(13-4-7-16-10-12(13)14)8-5-11-3-2-6-15-9-11/h2-4,6-7,9-10H,5,8,14H2,1H3
InChIKeyDBPQWBZQAFEZCA-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.74
Rot. Bonds4

About 4-N-methyl-4-N-(2-pyridin-3-ylethyl)pyridine-3,4-diamine

4-N-methyl-4-N-(2-pyridin-3-ylethyl)pyridine-3,4-diamine (PubChem CID 63262874) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 4-N-methyl-4-N-(2-pyridin-3-ylethyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(2-pyridin-3-ylethyl)pyridine-3,4-diamine
PubChem CID63262874
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name4-N-methyl-4-N-(2-pyridin-3-ylethyl)pyridine-3,4-diamine
SMILESCN(CCc1cccnc1)c1ccncc1N
InChIInChI=1S/C13H16N4/c1-17(13-4-7-16-10-12(13)14)8-5-11-3-2-6-15-9-11/h2-4,6-7,9-10H,5,8,14H2,1H3
InChIKeyDBPQWBZQAFEZCA-UHFFFAOYSA-N
XLogP1.74
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,4-dimethyl-2-N-(2-pyridin-3-ylethyl)benzene-1,2-diamine
CID 115126452
2-fluoro-4-N-methyl-4-N-(2-pyridin-3-ylethyl)benzene-1,4-diamine
CID 115124006
4-N-[2-(diethylamino)ethyl]-4-N-methylpyridine-3,4-diamine
CID 61359414
4-N-(2-methoxyethyl)-4-N-methylpyridine-3,4-diamine
CID 61360000
4-N-methyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-3,4-diamine
CID 103003367
2-N-methyl-2-N-(2-pyridin-3-ylethyl)propane-1,2-diamine
CID 112708855
4-[(3-amino-4-pyridinyl)-methylamino]-2-methylbutan-2-ol
CID 79356009
4-N-methyl-4-N-(2-phenylsulfanylethyl)pyridine-3,4-diamine
CID 79222292
4-N-methyl-4-N-(pyrimidin-2-ylmethyl)pyridine-3,4-diamine
CID 62698618
4-[(3-amino-4-pyridinyl)-methylamino]butanenitrile
CID 61358059
4-N-methyl-4-N-[2-(3-methylbutoxy)ethyl]pyridine-3,4-diamine
CID 54956565
4-N-methyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3,4-diamine
CID 116616296

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(2-pyridin-3-ylethyl)pyridine-3,4-diamine?
The IUPAC name of 4-N-methyl-4-N-(2-pyridin-3-ylethyl)pyridine-3,4-diamine (CID 63262874) is 4-N-methyl-4-N-(2-pyridin-3-ylethyl)pyridine-3,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(2-pyridin-3-ylethyl)pyridine-3,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-(2-pyridin-3-ylethyl)pyridine-3,4-diamine is CN(CCc1cccnc1)c1ccncc1N.
What is the InChIKey of 4-N-methyl-4-N-(2-pyridin-3-ylethyl)pyridine-3,4-diamine?
The InChIKey is DBPQWBZQAFEZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-17(13-4-7-16-10-12(13)14)8-5-11-3-2-6-15-9-11/h2-4,6-7,9-10H,5,8,14H2,1H3.
What are the key properties of 4-N-methyl-4-N-(2-pyridin-3-ylethyl)pyridine-3,4-diamine?
4-N-methyl-4-N-(2-pyridin-3-ylethyl)pyridine-3,4-diamine has a molecular weight of 228.30 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(2-pyridin-3-ylethyl)pyridine-3,4-diamine is sourced from PubChem (CID 63262874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).