2-N-(1H-indol-3-ylmethyl)-6-methylpyridine-2,5-diamine

C15H16N4 — CID 115147676

IUPAC2-N-(1H-indol-3-ylmethyl)-6-methylpyridine-2,5-diamine
SMILESCc1nc(NCc2c[nH]c3ccccc23)ccc1N
InChIInChI=1S/C15H16N4/c1-10-13(16)6-7-15(19-10)18-9-11-8-17-14-5-3-2-4-12(11)14/h2-8,17H,9,16H2,1H3,(H,18,19)
InChIKeyZNFSCFSTLWASQP-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.07
Rot. Bonds3

About 2-N-(1H-indol-3-ylmethyl)-6-methylpyridine-2,5-diamine

2-N-(1H-indol-3-ylmethyl)-6-methylpyridine-2,5-diamine (PubChem CID 115147676) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-N-(1H-indol-3-ylmethyl)-6-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(1H-indol-3-ylmethyl)-6-methylpyridine-2,5-diamine
PubChem CID115147676
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name2-N-(1H-indol-3-ylmethyl)-6-methylpyridine-2,5-diamine
SMILESCc1nc(NCc2c[nH]c3ccccc23)ccc1N
InChIInChI=1S/C15H16N4/c1-10-13(16)6-7-15(19-10)18-9-11-8-17-14-5-3-2-4-12(11)14/h2-8,17H,9,16H2,1H3,(H,18,19)
InChIKeyZNFSCFSTLWASQP-UHFFFAOYSA-N
XLogP3.07
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(1-benzothiophen-3-ylmethyl)-6-methylpyridine-2,5-diamine
CID 115147696
4-fluoro-2-N-(1H-indol-3-ylmethyl)benzene-1,2-diamine
CID 115124152
6-N-[2-(1H-indol-3-yl)ethyl]-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112858907
1-butyl-N-(1H-indol-3-ylmethyl)-5-methylpyrazol-3-amine
CID 19626838
3-bromo-N-(1H-indol-3-ylmethyl)-5-methylaniline
CID 107582123
2-(1H-indol-3-ylmethyl)-1,1-dimethylhydrazine
CID 83003617
4-bromo-N-(1H-indol-3-ylmethyl)aniline
CID 672214
6-methyl-2-N-[(2,3,5,6-tetramethylphenyl)methyl]pyridine-2,5-diamine
CID 115147673
3-(1H-indol-3-ylmethylamino)-2,2-dimethylpropanamide
CID 103617257
2-[[(5,6-diamino-2-pyridinyl)amino]methyl]phenol
CID 10036825
1-ethyl-N-(1H-indol-3-ylmethyl)benzimidazol-2-amine
CID 647353
N-(1H-indol-3-ylmethyl)-4-propoxyaniline
CID 62327281

Frequently Asked Questions

What is the IUPAC name of 2-N-(1H-indol-3-ylmethyl)-6-methylpyridine-2,5-diamine?
The IUPAC name of 2-N-(1H-indol-3-ylmethyl)-6-methylpyridine-2,5-diamine (CID 115147676) is 2-N-(1H-indol-3-ylmethyl)-6-methylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-(1H-indol-3-ylmethyl)-6-methylpyridine-2,5-diamine?
The canonical SMILES for 2-N-(1H-indol-3-ylmethyl)-6-methylpyridine-2,5-diamine is Cc1nc(NCc2c[nH]c3ccccc23)ccc1N.
What is the InChIKey of 2-N-(1H-indol-3-ylmethyl)-6-methylpyridine-2,5-diamine?
The InChIKey is ZNFSCFSTLWASQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-10-13(16)6-7-15(19-10)18-9-11-8-17-14-5-3-2-4-12(11)14/h2-8,17H,9,16H2,1H3,(H,18,19).
What are the key properties of 2-N-(1H-indol-3-ylmethyl)-6-methylpyridine-2,5-diamine?
2-N-(1H-indol-3-ylmethyl)-6-methylpyridine-2,5-diamine has a molecular weight of 252.32 g/mol, XLogP of 3.07, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1H-indol-3-ylmethyl)-6-methylpyridine-2,5-diamine is sourced from PubChem (CID 115147676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).