4-cyano-6-methyl-3-(methylamino)-N-propylthieno[2,3-b]pyridine-2-carboxamide

C14H16N4OS — CID 177260652

IUPAC4-cyano-6-methyl-3-(methylamino)-N-propylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCCNC(=O)c1sc2nc(C)cc(C#N)c2c1NC
InChIInChI=1S/C14H16N4OS/c1-4-5-17-13(19)12-11(16-3)10-9(7-15)6-8(2)18-14(10)20-12/h6,16H,4-5H2,1-3H3,(H,17,19)
InChIKeyXUGVSJBXSUSMSN-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.66
Rot. Bonds4

About 4-cyano-6-methyl-3-(methylamino)-N-propylthieno[2,3-b]pyridine-2-carboxamide

4-cyano-6-methyl-3-(methylamino)-N-propylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 177260652) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is 4-cyano-6-methyl-3-(methylamino)-N-propylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-cyano-6-methyl-3-(methylamino)-N-propylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID177260652
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name4-cyano-6-methyl-3-(methylamino)-N-propylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCCNC(=O)c1sc2nc(C)cc(C#N)c2c1NC
InChIInChI=1S/C14H16N4OS/c1-4-5-17-13(19)12-11(16-3)10-9(7-15)6-8(2)18-14(10)20-12/h6,16H,4-5H2,1-3H3,(H,17,19)
InChIKeyXUGVSJBXSUSMSN-UHFFFAOYSA-N
XLogP2.66
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-6-methyl-3-(methylamino)-N-propylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 4-cyano-6-methyl-3-(methylamino)-N-propylthieno[2,3-b]pyridine-2-carboxamide (CID 177260652) is 4-cyano-6-methyl-3-(methylamino)-N-propylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 4-cyano-6-methyl-3-(methylamino)-N-propylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 4-cyano-6-methyl-3-(methylamino)-N-propylthieno[2,3-b]pyridine-2-carboxamide is CCCNC(=O)c1sc2nc(C)cc(C#N)c2c1NC.
What is the InChIKey of 4-cyano-6-methyl-3-(methylamino)-N-propylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is XUGVSJBXSUSMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-4-5-17-13(19)12-11(16-3)10-9(7-15)6-8(2)18-14(10)20-12/h6,16H,4-5H2,1-3H3,(H,17,19).
What are the key properties of 4-cyano-6-methyl-3-(methylamino)-N-propylthieno[2,3-b]pyridine-2-carboxamide?
4-cyano-6-methyl-3-(methylamino)-N-propylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 288.38 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-6-methyl-3-(methylamino)-N-propylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 177260652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).