4-(6-methoxy-1H-indol-2-yl)-2-N,3-N-dimethylpyridine-2,3,6-triamine

C16H19N5O — CID 142923621

IUPAC4-(6-methoxy-1H-indol-2-yl)-2-N,3-N-dimethylpyridine-2,3,6-triamine
SMILESCNc1nc(N)cc(-c2cc3ccc(OC)cc3[nH]2)c1NC
InChIInChI=1S/C16H19N5O/c1-18-15-11(8-14(17)21-16(15)19-2)13-6-9-4-5-10(22-3)7-12(9)20-13/h4-8,18,20H,1-3H3,(H3,17,19,21)
InChIKeyDXBSUZIOCQHCPJ-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.90
Rot. Bonds4

About 4-(6-methoxy-1H-indol-2-yl)-2-N,3-N-dimethylpyridine-2,3,6-triamine

4-(6-methoxy-1H-indol-2-yl)-2-N,3-N-dimethylpyridine-2,3,6-triamine (PubChem CID 142923621) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 4-(6-methoxy-1H-indol-2-yl)-2-N,3-N-dimethylpyridine-2,3,6-triamine.

Molecular Properties

Compound Name4-(6-methoxy-1H-indol-2-yl)-2-N,3-N-dimethylpyridine-2,3,6-triamine
PubChem CID142923621
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name4-(6-methoxy-1H-indol-2-yl)-2-N,3-N-dimethylpyridine-2,3,6-triamine
SMILESCNc1nc(N)cc(-c2cc3ccc(OC)cc3[nH]2)c1NC
InChIInChI=1S/C16H19N5O/c1-18-15-11(8-14(17)21-16(15)19-2)13-6-9-4-5-10(22-3)7-12(9)20-13/h4-8,18,20H,1-3H3,(H3,17,19,21)
InChIKeyDXBSUZIOCQHCPJ-UHFFFAOYSA-N
XLogP2.90
TPSA87.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-(6-methoxy-1H-indol-2-yl)-1,2-oxazol-5-amine
CID 136985615
5-(6-methoxy-1H-indol-2-yl)-1,2,4-triazin-3-amine
CID 82387503
2-(6-methoxy-1H-indol-2-yl)-N-methylpropan-2-amine
CID 82615050
N'-methoxy-N-[4-(6-methoxy-1H-indol-2-yl)phenyl]propane-1,3-diamine
CID 143184285
6-methoxy-N-methyl-1H-benzimidazol-2-amine
CID 82562601
2-(2,5-dimethoxyphenyl)-1H-indole
CID 4714964
2-(6-ethyl-1H-indol-2-yl)-5-methoxy-1H-indole
CID 144993445
(6-methoxy-1H-indol-2-yl)methanol
CID 10845030
2-(2-bromophenyl)-5-methoxy-1H-indole
CID 131887178
2-cyclopropyl-6-methoxy-1H-indole
CID 69186205
3-(6-methoxy-1H-indol-2-yl)-N-methyl-3-phenylpropan-1-amine
CID 58088610
1-ethyl-7-methoxy-9H-pyrido[3,4-b]indol-3-amine
CID 115044226

Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-1H-indol-2-yl)-2-N,3-N-dimethylpyridine-2,3,6-triamine?
The IUPAC name of 4-(6-methoxy-1H-indol-2-yl)-2-N,3-N-dimethylpyridine-2,3,6-triamine (CID 142923621) is 4-(6-methoxy-1H-indol-2-yl)-2-N,3-N-dimethylpyridine-2,3,6-triamine.
What is the SMILES notation for 4-(6-methoxy-1H-indol-2-yl)-2-N,3-N-dimethylpyridine-2,3,6-triamine?
The canonical SMILES for 4-(6-methoxy-1H-indol-2-yl)-2-N,3-N-dimethylpyridine-2,3,6-triamine is CNc1nc(N)cc(-c2cc3ccc(OC)cc3[nH]2)c1NC.
What is the InChIKey of 4-(6-methoxy-1H-indol-2-yl)-2-N,3-N-dimethylpyridine-2,3,6-triamine?
The InChIKey is DXBSUZIOCQHCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-18-15-11(8-14(17)21-16(15)19-2)13-6-9-4-5-10(22-3)7-12(9)20-13/h4-8,18,20H,1-3H3,(H3,17,19,21).
What are the key properties of 4-(6-methoxy-1H-indol-2-yl)-2-N,3-N-dimethylpyridine-2,3,6-triamine?
4-(6-methoxy-1H-indol-2-yl)-2-N,3-N-dimethylpyridine-2,3,6-triamine has a molecular weight of 297.36 g/mol, XLogP of 2.90, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-1H-indol-2-yl)-2-N,3-N-dimethylpyridine-2,3,6-triamine is sourced from PubChem (CID 142923621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).