3-amino-N-[(4-fluorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

C17H16FN3OS — CID 16757565

IUPAC3-amino-N-[(4-fluorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C)c2c(N)c(C(=O)NCc3ccc(F)cc3)sc2n1
InChIInChI=1S/C17H16FN3OS/c1-9-7-10(2)21-17-13(9)14(19)15(23-17)16(22)20-8-11-3-5-12(18)6-4-11/h3-7H,8,19H2,1-2H3,(H,20,22)
InChIKeyZDBJDPYPGFKZRT-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.56
Rot. Bonds3

About 3-amino-N-[(4-fluorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[(4-fluorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 16757565) has the molecular formula C17H16FN3OS and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-amino-N-[(4-fluorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(4-fluorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID16757565
Molecular FormulaC17H16FN3OS
Molecular Weight329.40 g/mol
Exact Mass329.10
IUPAC Name3-amino-N-[(4-fluorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C)c2c(N)c(C(=O)NCc3ccc(F)cc3)sc2n1
InChIInChI=1S/C17H16FN3OS/c1-9-7-10(2)21-17-13(9)14(19)15(23-17)16(22)20-8-11-3-5-12(18)6-4-11/h3-7H,8,19H2,1-2H3,(H,20,22)
InChIKeyZDBJDPYPGFKZRT-UHFFFAOYSA-N
XLogP3.56
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-fluorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[(4-fluorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (CID 16757565) is 3-amino-N-[(4-fluorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(4-fluorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(4-fluorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide is Cc1cc(C)c2c(N)c(C(=O)NCc3ccc(F)cc3)sc2n1.
What is the InChIKey of 3-amino-N-[(4-fluorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is ZDBJDPYPGFKZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3OS/c1-9-7-10(2)21-17-13(9)14(19)15(23-17)16(22)20-8-11-3-5-12(18)6-4-11/h3-7H,8,19H2,1-2H3,(H,20,22).
What are the key properties of 3-amino-N-[(4-fluorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[(4-fluorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-fluorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 16757565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).