6-(3-fluoropropoxy)-2-N-methyl-2-N-[(4-methylthian-4-yl)methyl]pyridine-2,3-diamine

C16H26FN3OS — CID 171655231

IUPAC6-(3-fluoropropoxy)-2-N-methyl-2-N-[(4-methylthian-4-yl)methyl]pyridine-2,3-diamine
SMILESCN(CC1(C)CCSCC1)c1nc(OCCCF)ccc1N
InChIInChI=1S/C16H26FN3OS/c1-16(6-10-22-11-7-16)12-20(2)15-13(18)4-5-14(19-15)21-9-3-8-17/h4-5H,3,6-12,18H2,1-2H3
InChIKeyNUESSTCNSRDTBI-UHFFFAOYSA-N
MW327.47 g/mol
LogP3.37
Rot. Bonds7

About 6-(3-fluoropropoxy)-2-N-methyl-2-N-[(4-methylthian-4-yl)methyl]pyridine-2,3-diamine

6-(3-fluoropropoxy)-2-N-methyl-2-N-[(4-methylthian-4-yl)methyl]pyridine-2,3-diamine (PubChem CID 171655231) has the molecular formula C16H26FN3OS and a molecular weight of 327.47 g/mol. Its IUPAC name is 6-(3-fluoropropoxy)-2-N-methyl-2-N-[(4-methylthian-4-yl)methyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name6-(3-fluoropropoxy)-2-N-methyl-2-N-[(4-methylthian-4-yl)methyl]pyridine-2,3-diamine
PubChem CID171655231
Molecular FormulaC16H26FN3OS
Molecular Weight327.47 g/mol
Exact Mass327.18
IUPAC Name6-(3-fluoropropoxy)-2-N-methyl-2-N-[(4-methylthian-4-yl)methyl]pyridine-2,3-diamine
SMILESCN(CC1(C)CCSCC1)c1nc(OCCCF)ccc1N
InChIInChI=1S/C16H26FN3OS/c1-16(6-10-22-11-7-16)12-20(2)15-13(18)4-5-14(19-15)21-9-3-8-17/h4-5H,3,6-12,18H2,1-2H3
InChIKeyNUESSTCNSRDTBI-UHFFFAOYSA-N
XLogP3.37
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-(3-fluoropropoxy)-2-N-methyl-2-N-[(4-methylthian-4-yl)methyl]pyridine-2,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoropropoxy)-2-N-methyl-2-N-[(4-methylthian-4-yl)methyl]pyridine-2,3-diamine?
The IUPAC name of 6-(3-fluoropropoxy)-2-N-methyl-2-N-[(4-methylthian-4-yl)methyl]pyridine-2,3-diamine (CID 171655231) is 6-(3-fluoropropoxy)-2-N-methyl-2-N-[(4-methylthian-4-yl)methyl]pyridine-2,3-diamine.
What is the SMILES notation for 6-(3-fluoropropoxy)-2-N-methyl-2-N-[(4-methylthian-4-yl)methyl]pyridine-2,3-diamine?
The canonical SMILES for 6-(3-fluoropropoxy)-2-N-methyl-2-N-[(4-methylthian-4-yl)methyl]pyridine-2,3-diamine is CN(CC1(C)CCSCC1)c1nc(OCCCF)ccc1N.
What is the InChIKey of 6-(3-fluoropropoxy)-2-N-methyl-2-N-[(4-methylthian-4-yl)methyl]pyridine-2,3-diamine?
The InChIKey is NUESSTCNSRDTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3OS/c1-16(6-10-22-11-7-16)12-20(2)15-13(18)4-5-14(19-15)21-9-3-8-17/h4-5H,3,6-12,18H2,1-2H3.
What are the key properties of 6-(3-fluoropropoxy)-2-N-methyl-2-N-[(4-methylthian-4-yl)methyl]pyridine-2,3-diamine?
6-(3-fluoropropoxy)-2-N-methyl-2-N-[(4-methylthian-4-yl)methyl]pyridine-2,3-diamine has a molecular weight of 327.47 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoropropoxy)-2-N-methyl-2-N-[(4-methylthian-4-yl)methyl]pyridine-2,3-diamine is sourced from PubChem (CID 171655231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).