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

C16H14ClN3OS — CID 734380

IUPAC3-amino-N-(2-chlorophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C)c2c(N)c(C(=O)Nc3ccccc3Cl)sc2n1
InChIInChI=1S/C16H14ClN3OS/c1-8-7-9(2)19-16-12(8)13(18)14(22-16)15(21)20-11-6-4-3-5-10(11)17/h3-7H,18H2,1-2H3,(H,20,21)
InChIKeyQPCXMDKFNQKVIC-UHFFFAOYSA-N
MW331.83 g/mol
LogP4.40
Rot. Bonds2

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

3-amino-N-(2-chlorophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 734380) has the molecular formula C16H14ClN3OS and a molecular weight of 331.83 g/mol. Its IUPAC name is 3-amino-N-(2-chlorophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-chlorophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID734380
Molecular FormulaC16H14ClN3OS
Molecular Weight331.83 g/mol
Exact Mass331.05
IUPAC Name3-amino-N-(2-chlorophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C)c2c(N)c(C(=O)Nc3ccccc3Cl)sc2n1
InChIInChI=1S/C16H14ClN3OS/c1-8-7-9(2)19-16-12(8)13(18)14(22-16)15(21)20-11-6-4-3-5-10(11)17/h3-7H,18H2,1-2H3,(H,20,21)
InChIKeyQPCXMDKFNQKVIC-UHFFFAOYSA-N
XLogP4.40
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.83
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-chlorophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(2-chlorophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (CID 734380) is 3-amino-N-(2-chlorophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-chlorophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-chlorophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide is Cc1cc(C)c2c(N)c(C(=O)Nc3ccccc3Cl)sc2n1.
What is the InChIKey of 3-amino-N-(2-chlorophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is QPCXMDKFNQKVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3OS/c1-8-7-9(2)19-16-12(8)13(18)14(22-16)15(21)20-11-6-4-3-5-10(11)17/h3-7H,18H2,1-2H3,(H,20,21).
What are the key properties of 3-amino-N-(2-chlorophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(2-chlorophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 331.83 g/mol, XLogP of 4.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-chlorophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 734380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).