4-N,4-N-dimethyl-3-N-(1-thieno[3,2-b]pyridin-6-ylethyl)pyridine-3,4-diamine

C16H18N4S — CID 64828589

IUPAC4-N,4-N-dimethyl-3-N-(1-thieno[3,2-b]pyridin-6-ylethyl)pyridine-3,4-diamine
SMILESCC(Nc1cnccc1N(C)C)c1cnc2ccsc2c1
InChIInChI=1S/C16H18N4S/c1-11(12-8-16-13(18-9-12)5-7-21-16)19-14-10-17-6-4-15(14)20(2)3/h4-11,19H,1-3H3
InChIKeyMXGKJHZPAIFGRG-UHFFFAOYSA-N
MW298.42 g/mol
LogP3.93
Rot. Bonds4

About 4-N,4-N-dimethyl-3-N-(1-thieno[3,2-b]pyridin-6-ylethyl)pyridine-3,4-diamine

4-N,4-N-dimethyl-3-N-(1-thieno[3,2-b]pyridin-6-ylethyl)pyridine-3,4-diamine (PubChem CID 64828589) has the molecular formula C16H18N4S and a molecular weight of 298.42 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-3-N-(1-thieno[3,2-b]pyridin-6-ylethyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-3-N-(1-thieno[3,2-b]pyridin-6-ylethyl)pyridine-3,4-diamine
PubChem CID64828589
Molecular FormulaC16H18N4S
Molecular Weight298.42 g/mol
Exact Mass298.13
IUPAC Name4-N,4-N-dimethyl-3-N-(1-thieno[3,2-b]pyridin-6-ylethyl)pyridine-3,4-diamine
SMILESCC(Nc1cnccc1N(C)C)c1cnc2ccsc2c1
InChIInChI=1S/C16H18N4S/c1-11(12-8-16-13(18-9-12)5-7-21-16)19-14-10-17-6-4-15(14)20(2)3/h4-11,19H,1-3H3
InChIKeyMXGKJHZPAIFGRG-UHFFFAOYSA-N
XLogP3.93
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-3-N-(1-thieno[3,2-b]pyridin-6-ylethyl)pyridine-3,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-3-N-(1-thieno[3,2-b]pyridin-6-ylethyl)pyridine-3,4-diamine (CID 64828589) is 4-N,4-N-dimethyl-3-N-(1-thieno[3,2-b]pyridin-6-ylethyl)pyridine-3,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-3-N-(1-thieno[3,2-b]pyridin-6-ylethyl)pyridine-3,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-3-N-(1-thieno[3,2-b]pyridin-6-ylethyl)pyridine-3,4-diamine is CC(Nc1cnccc1N(C)C)c1cnc2ccsc2c1.
What is the InChIKey of 4-N,4-N-dimethyl-3-N-(1-thieno[3,2-b]pyridin-6-ylethyl)pyridine-3,4-diamine?
The InChIKey is MXGKJHZPAIFGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4S/c1-11(12-8-16-13(18-9-12)5-7-21-16)19-14-10-17-6-4-15(14)20(2)3/h4-11,19H,1-3H3.
What are the key properties of 4-N,4-N-dimethyl-3-N-(1-thieno[3,2-b]pyridin-6-ylethyl)pyridine-3,4-diamine?
4-N,4-N-dimethyl-3-N-(1-thieno[3,2-b]pyridin-6-ylethyl)pyridine-3,4-diamine has a molecular weight of 298.42 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-3-N-(1-thieno[3,2-b]pyridin-6-ylethyl)pyridine-3,4-diamine is sourced from PubChem (CID 64828589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).