N-(6-methoxy-2-methyl-3-pyridinyl)-3-(methylaminomethyl)-1H-indol-6-amine;pyridine-3-thiol

C22H25N5OS — CID 144821388

IUPACN-(6-methoxy-2-methyl-3-pyridinyl)-3-(methylaminomethyl)-1H-indol-6-amine;pyridine-3-thiol
SMILESCNCc1c[nH]c2cc(Nc3ccc(OC)nc3C)ccc12.Sc1cccnc1
InChIInChI=1S/C17H20N4O.C5H5NS/c1-11-15(6-7-17(20-11)22-3)21-13-4-5-14-12(9-18-2)10-19-16(14)8-13;7-5-2-1-3-6-4-5/h4-8,10,18-19,21H,9H2,1-3H3;1-4,7H
InChIKeyNAAWRISDNJUHKD-UHFFFAOYSA-N
MW407.54 g/mol
LogP4.71
Rot. Bonds5

About N-(6-methoxy-2-methyl-3-pyridinyl)-3-(methylaminomethyl)-1H-indol-6-amine;pyridine-3-thiol

N-(6-methoxy-2-methyl-3-pyridinyl)-3-(methylaminomethyl)-1H-indol-6-amine;pyridine-3-thiol (PubChem CID 144821388) has the molecular formula C22H25N5OS and a molecular weight of 407.54 g/mol. Its IUPAC name is N-(6-methoxy-2-methyl-3-pyridinyl)-3-(methylaminomethyl)-1H-indol-6-amine;pyridine-3-thiol.

Molecular Properties

Compound NameN-(6-methoxy-2-methyl-3-pyridinyl)-3-(methylaminomethyl)-1H-indol-6-amine;pyridine-3-thiol
PubChem CID144821388
Molecular FormulaC22H25N5OS
Molecular Weight407.54 g/mol
Exact Mass407.18
IUPAC NameN-(6-methoxy-2-methyl-3-pyridinyl)-3-(methylaminomethyl)-1H-indol-6-amine;pyridine-3-thiol
SMILESCNCc1c[nH]c2cc(Nc3ccc(OC)nc3C)ccc12.Sc1cccnc1
InChIInChI=1S/C17H20N4O.C5H5NS/c1-11-15(6-7-17(20-11)22-3)21-13-4-5-14-12(9-18-2)10-19-16(14)8-13;7-5-2-1-3-6-4-5/h4-8,10,18-19,21H,9H2,1-3H3;1-4,7H
InChIKeyNAAWRISDNJUHKD-UHFFFAOYSA-N
XLogP4.71
TPSA74.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-2-methyl-3-pyridinyl)-3-(methylaminomethyl)-1H-indol-6-amine;pyridine-3-thiol?
The IUPAC name of N-(6-methoxy-2-methyl-3-pyridinyl)-3-(methylaminomethyl)-1H-indol-6-amine;pyridine-3-thiol (CID 144821388) is N-(6-methoxy-2-methyl-3-pyridinyl)-3-(methylaminomethyl)-1H-indol-6-amine;pyridine-3-thiol.
What is the SMILES notation for N-(6-methoxy-2-methyl-3-pyridinyl)-3-(methylaminomethyl)-1H-indol-6-amine;pyridine-3-thiol?
The canonical SMILES for N-(6-methoxy-2-methyl-3-pyridinyl)-3-(methylaminomethyl)-1H-indol-6-amine;pyridine-3-thiol is CNCc1c[nH]c2cc(Nc3ccc(OC)nc3C)ccc12.Sc1cccnc1.
What is the InChIKey of N-(6-methoxy-2-methyl-3-pyridinyl)-3-(methylaminomethyl)-1H-indol-6-amine;pyridine-3-thiol?
The InChIKey is NAAWRISDNJUHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O.C5H5NS/c1-11-15(6-7-17(20-11)22-3)21-13-4-5-14-12(9-18-2)10-19-16(14)8-13;7-5-2-1-3-6-4-5/h4-8,10,18-19,21H,9H2,1-3H3;1-4,7H.
What are the key properties of N-(6-methoxy-2-methyl-3-pyridinyl)-3-(methylaminomethyl)-1H-indol-6-amine;pyridine-3-thiol?
N-(6-methoxy-2-methyl-3-pyridinyl)-3-(methylaminomethyl)-1H-indol-6-amine;pyridine-3-thiol has a molecular weight of 407.54 g/mol, XLogP of 4.71, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-2-methyl-3-pyridinyl)-3-(methylaminomethyl)-1H-indol-6-amine;pyridine-3-thiol is sourced from PubChem (CID 144821388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).