3-amino-4,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide

C16H17N3O2S — CID 139215201

IUPAC3-amino-4,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C)c2c(N)c(C(=O)NCc3ccc(C)o3)sc2n1
InChIInChI=1S/C16H17N3O2S/c1-8-6-9(2)19-16-12(8)13(17)14(22-16)15(20)18-7-11-5-4-10(3)21-11/h4-6H,7,17H2,1-3H3,(H,18,20)
InChIKeyFLKRBNNYDITUJX-UHFFFAOYSA-N
MW315.40 g/mol
LogP3.33
Rot. Bonds3

About 3-amino-4,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide

3-amino-4,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 139215201) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 3-amino-4,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID139215201
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name3-amino-4,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C)c2c(N)c(C(=O)NCc3ccc(C)o3)sc2n1
InChIInChI=1S/C16H17N3O2S/c1-8-6-9(2)19-16-12(8)13(17)14(22-16)15(20)18-7-11-5-4-10(3)21-11/h4-6H,7,17H2,1-3H3,(H,18,20)
InChIKeyFLKRBNNYDITUJX-UHFFFAOYSA-N
XLogP3.33
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide (CID 139215201) is 3-amino-4,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide is Cc1cc(C)c2c(N)c(C(=O)NCc3ccc(C)o3)sc2n1.
What is the InChIKey of 3-amino-4,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is FLKRBNNYDITUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-8-6-9(2)19-16-12(8)13(17)14(22-16)15(20)18-7-11-5-4-10(3)21-11/h4-6H,7,17H2,1-3H3,(H,18,20).
What are the key properties of 3-amino-4,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide?
3-amino-4,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 315.40 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 139215201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).