3-amino-6-methyl-4-N-phenylthieno[2,3-b]pyridine-2,4-dicarboxamide

C16H14N4O2S — CID 23401042

IUPAC3-amino-6-methyl-4-N-phenylthieno[2,3-b]pyridine-2,4-dicarboxamide
SMILESCc1cc(C(=O)Nc2ccccc2)c2c(N)c(C(N)=O)sc2n1
InChIInChI=1S/C16H14N4O2S/c1-8-7-10(15(22)20-9-5-3-2-4-6-9)11-12(17)13(14(18)21)23-16(11)19-8/h2-7H,17H2,1H3,(H2,18,21)(H,20,22)
InChIKeyFCQGANJIDHJKBX-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.54
Rot. Bonds3

About 3-amino-6-methyl-4-N-phenylthieno[2,3-b]pyridine-2,4-dicarboxamide

3-amino-6-methyl-4-N-phenylthieno[2,3-b]pyridine-2,4-dicarboxamide (PubChem CID 23401042) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is 3-amino-6-methyl-4-N-phenylthieno[2,3-b]pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name3-amino-6-methyl-4-N-phenylthieno[2,3-b]pyridine-2,4-dicarboxamide
PubChem CID23401042
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC Name3-amino-6-methyl-4-N-phenylthieno[2,3-b]pyridine-2,4-dicarboxamide
SMILESCc1cc(C(=O)Nc2ccccc2)c2c(N)c(C(N)=O)sc2n1
InChIInChI=1S/C16H14N4O2S/c1-8-7-10(15(22)20-9-5-3-2-4-6-9)11-12(17)13(14(18)21)23-16(11)19-8/h2-7H,17H2,1H3,(H2,18,21)(H,20,22)
InChIKeyFCQGANJIDHJKBX-UHFFFAOYSA-N
XLogP2.54
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-4-N-phenylthieno[2,3-b]pyridine-2,4-dicarboxamide?
The IUPAC name of 3-amino-6-methyl-4-N-phenylthieno[2,3-b]pyridine-2,4-dicarboxamide (CID 23401042) is 3-amino-6-methyl-4-N-phenylthieno[2,3-b]pyridine-2,4-dicarboxamide.
What is the SMILES notation for 3-amino-6-methyl-4-N-phenylthieno[2,3-b]pyridine-2,4-dicarboxamide?
The canonical SMILES for 3-amino-6-methyl-4-N-phenylthieno[2,3-b]pyridine-2,4-dicarboxamide is Cc1cc(C(=O)Nc2ccccc2)c2c(N)c(C(N)=O)sc2n1.
What is the InChIKey of 3-amino-6-methyl-4-N-phenylthieno[2,3-b]pyridine-2,4-dicarboxamide?
The InChIKey is FCQGANJIDHJKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c1-8-7-10(15(22)20-9-5-3-2-4-6-9)11-12(17)13(14(18)21)23-16(11)19-8/h2-7H,17H2,1H3,(H2,18,21)(H,20,22).
What are the key properties of 3-amino-6-methyl-4-N-phenylthieno[2,3-b]pyridine-2,4-dicarboxamide?
3-amino-6-methyl-4-N-phenylthieno[2,3-b]pyridine-2,4-dicarboxamide has a molecular weight of 326.38 g/mol, XLogP of 2.54, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methyl-4-N-phenylthieno[2,3-b]pyridine-2,4-dicarboxamide is sourced from PubChem (CID 23401042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).