3-amino-4,6-dimethyl-N-[3-(methylamino)propyl]thieno[3,2-c]pyridine-2-carboxamide

C14H20N4OS — CID 81053330

IUPAC3-amino-4,6-dimethyl-N-[3-(methylamino)propyl]thieno[3,2-c]pyridine-2-carboxamide
SMILESCNCCCNC(=O)c1sc2cc(C)nc(C)c2c1N
InChIInChI=1S/C14H20N4OS/c1-8-7-10-11(9(2)18-8)12(15)13(20-10)14(19)17-6-4-5-16-3/h7,16H,4-6,15H2,1-3H3,(H,17,19)
InChIKeyUVXNTRZLVKUPHX-UHFFFAOYSA-N
MW292.41 g/mol
LogP1.83
Rot. Bonds5

About 3-amino-4,6-dimethyl-N-[3-(methylamino)propyl]thieno[3,2-c]pyridine-2-carboxamide

3-amino-4,6-dimethyl-N-[3-(methylamino)propyl]thieno[3,2-c]pyridine-2-carboxamide (PubChem CID 81053330) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 3-amino-4,6-dimethyl-N-[3-(methylamino)propyl]thieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4,6-dimethyl-N-[3-(methylamino)propyl]thieno[3,2-c]pyridine-2-carboxamide
PubChem CID81053330
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name3-amino-4,6-dimethyl-N-[3-(methylamino)propyl]thieno[3,2-c]pyridine-2-carboxamide
SMILESCNCCCNC(=O)c1sc2cc(C)nc(C)c2c1N
InChIInChI=1S/C14H20N4OS/c1-8-7-10-11(9(2)18-8)12(15)13(20-10)14(19)17-6-4-5-16-3/h7,16H,4-6,15H2,1-3H3,(H,17,19)
InChIKeyUVXNTRZLVKUPHX-UHFFFAOYSA-N
XLogP1.83
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4,6-dimethyl-N-[3-(methylamino)propyl]thieno[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4,6-dimethyl-N-[3-(methylamino)propyl]thieno[3,2-c]pyridine-2-carboxamide (CID 81053330) is 3-amino-4,6-dimethyl-N-[3-(methylamino)propyl]thieno[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4,6-dimethyl-N-[3-(methylamino)propyl]thieno[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4,6-dimethyl-N-[3-(methylamino)propyl]thieno[3,2-c]pyridine-2-carboxamide is CNCCCNC(=O)c1sc2cc(C)nc(C)c2c1N.
What is the InChIKey of 3-amino-4,6-dimethyl-N-[3-(methylamino)propyl]thieno[3,2-c]pyridine-2-carboxamide?
The InChIKey is UVXNTRZLVKUPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-8-7-10-11(9(2)18-8)12(15)13(20-10)14(19)17-6-4-5-16-3/h7,16H,4-6,15H2,1-3H3,(H,17,19).
What are the key properties of 3-amino-4,6-dimethyl-N-[3-(methylamino)propyl]thieno[3,2-c]pyridine-2-carboxamide?
3-amino-4,6-dimethyl-N-[3-(methylamino)propyl]thieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 292.41 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,6-dimethyl-N-[3-(methylamino)propyl]thieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 81053330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).