3-amino-5-cyano-6-(3-methoxypropylamino)-4-(5-methylfuran-2-yl)thieno[2,3-b]pyridine-2-carboxamide

C18H19N5O3S — CID 59486179

IUPAC3-amino-5-cyano-6-(3-methoxypropylamino)-4-(5-methylfuran-2-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCOCCCNc1nc2sc(C(N)=O)c(N)c2c(-c2ccc(C)o2)c1C#N
InChIInChI=1S/C18H19N5O3S/c1-9-4-5-11(26-9)12-10(8-19)17(22-6-3-7-25-2)23-18-13(12)14(20)15(27-18)16(21)24/h4-5H,3,6-7,20H2,1-2H3,(H2,21,24)(H,22,23)
InChIKeyPMDZWGPMUDPLLT-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.87
Rot. Bonds7

About 3-amino-5-cyano-6-(3-methoxypropylamino)-4-(5-methylfuran-2-yl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-5-cyano-6-(3-methoxypropylamino)-4-(5-methylfuran-2-yl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 59486179) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is 3-amino-5-cyano-6-(3-methoxypropylamino)-4-(5-methylfuran-2-yl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-cyano-6-(3-methoxypropylamino)-4-(5-methylfuran-2-yl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID59486179
Molecular FormulaC18H19N5O3S
Molecular Weight385.45 g/mol
Exact Mass385.12
IUPAC Name3-amino-5-cyano-6-(3-methoxypropylamino)-4-(5-methylfuran-2-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCOCCCNc1nc2sc(C(N)=O)c(N)c2c(-c2ccc(C)o2)c1C#N
InChIInChI=1S/C18H19N5O3S/c1-9-4-5-11(26-9)12-10(8-19)17(22-6-3-7-25-2)23-18-13(12)14(20)15(27-18)16(21)24/h4-5H,3,6-7,20H2,1-2H3,(H2,21,24)(H,22,23)
InChIKeyPMDZWGPMUDPLLT-UHFFFAOYSA-N
XLogP2.87
TPSA140.19 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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-5-cyano-6-(3-methoxypropylamino)-4-(5-methylfuran-2-yl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-5-cyano-6-(3-methoxypropylamino)-4-(5-methylfuran-2-yl)thieno[2,3-b]pyridine-2-carboxamide (CID 59486179) is 3-amino-5-cyano-6-(3-methoxypropylamino)-4-(5-methylfuran-2-yl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-5-cyano-6-(3-methoxypropylamino)-4-(5-methylfuran-2-yl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-5-cyano-6-(3-methoxypropylamino)-4-(5-methylfuran-2-yl)thieno[2,3-b]pyridine-2-carboxamide is COCCCNc1nc2sc(C(N)=O)c(N)c2c(-c2ccc(C)o2)c1C#N.
What is the InChIKey of 3-amino-5-cyano-6-(3-methoxypropylamino)-4-(5-methylfuran-2-yl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is PMDZWGPMUDPLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S/c1-9-4-5-11(26-9)12-10(8-19)17(22-6-3-7-25-2)23-18-13(12)14(20)15(27-18)16(21)24/h4-5H,3,6-7,20H2,1-2H3,(H2,21,24)(H,22,23).
What are the key properties of 3-amino-5-cyano-6-(3-methoxypropylamino)-4-(5-methylfuran-2-yl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-5-cyano-6-(3-methoxypropylamino)-4-(5-methylfuran-2-yl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 385.45 g/mol, XLogP of 2.87, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-cyano-6-(3-methoxypropylamino)-4-(5-methylfuran-2-yl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 59486179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).