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

C17H17ClFN3OS — CID 72713884

IUPAC3-amino-N-[(3-fluorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride
SMILESCc1cc(C)c2c(N)c(C(=O)NCc3cccc(F)c3)sc2n1.Cl
InChIInChI=1S/C17H16FN3OS.ClH/c1-9-6-10(2)21-17-13(9)14(19)15(23-17)16(22)20-8-11-4-3-5-12(18)7-11;/h3-7H,8,19H2,1-2H3,(H,20,22);1H
InChIKeyVYJFNIDVRXLVNM-UHFFFAOYSA-N
MW365.86 g/mol
LogP3.99
Rot. Bonds3

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

3-amino-N-[(3-fluorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride (PubChem CID 72713884) has the molecular formula C17H17ClFN3OS and a molecular weight of 365.86 g/mol. Its IUPAC name is 3-amino-N-[(3-fluorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[(3-fluorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride
PubChem CID72713884
Molecular FormulaC17H17ClFN3OS
Molecular Weight365.86 g/mol
Exact Mass365.08
IUPAC Name3-amino-N-[(3-fluorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride
SMILESCc1cc(C)c2c(N)c(C(=O)NCc3cccc(F)c3)sc2n1.Cl
InChIInChI=1S/C17H16FN3OS.ClH/c1-9-6-10(2)21-17-13(9)14(19)15(23-17)16(22)20-8-11-4-3-5-12(18)7-11;/h3-7H,8,19H2,1-2H3,(H,20,22);1H
InChIKeyVYJFNIDVRXLVNM-UHFFFAOYSA-N
XLogP3.99
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-fluorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[(3-fluorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride (CID 72713884) is 3-amino-N-[(3-fluorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[(3-fluorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[(3-fluorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride is Cc1cc(C)c2c(N)c(C(=O)NCc3cccc(F)c3)sc2n1.Cl.
What is the InChIKey of 3-amino-N-[(3-fluorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride?
The InChIKey is VYJFNIDVRXLVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3OS.ClH/c1-9-6-10(2)21-17-13(9)14(19)15(23-17)16(22)20-8-11-4-3-5-12(18)7-11;/h3-7H,8,19H2,1-2H3,(H,20,22);1H.
What are the key properties of 3-amino-N-[(3-fluorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride?
3-amino-N-[(3-fluorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride has a molecular weight of 365.86 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-fluorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 72713884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).