4-amino-2-(4-tert-butylphenyl)-N-methylthieno[3,2-c]pyridine-7-carboxamide

C19H21N3OS — CID 56925456

IUPAC4-amino-2-(4-tert-butylphenyl)-N-methylthieno[3,2-c]pyridine-7-carboxamide
SMILESCNC(=O)c1cnc(N)c2cc(-c3ccc(C(C)(C)C)cc3)sc12
InChIInChI=1S/C19H21N3OS/c1-19(2,3)12-7-5-11(6-8-12)15-9-13-16(24-15)14(18(23)21-4)10-22-17(13)20/h5-10H,1-4H3,(H2,20,22)(H,21,23)
InChIKeyYOVOSWQKQOPRCG-UHFFFAOYSA-N
MW339.46 g/mol
LogP4.20
Rot. Bonds2

About 4-amino-2-(4-tert-butylphenyl)-N-methylthieno[3,2-c]pyridine-7-carboxamide

4-amino-2-(4-tert-butylphenyl)-N-methylthieno[3,2-c]pyridine-7-carboxamide (PubChem CID 56925456) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is 4-amino-2-(4-tert-butylphenyl)-N-methylthieno[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name4-amino-2-(4-tert-butylphenyl)-N-methylthieno[3,2-c]pyridine-7-carboxamide
PubChem CID56925456
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name4-amino-2-(4-tert-butylphenyl)-N-methylthieno[3,2-c]pyridine-7-carboxamide
SMILESCNC(=O)c1cnc(N)c2cc(-c3ccc(C(C)(C)C)cc3)sc12
InChIInChI=1S/C19H21N3OS/c1-19(2,3)12-7-5-11(6-8-12)15-9-13-16(24-15)14(18(23)21-4)10-22-17(13)20/h5-10H,1-4H3,(H2,20,22)(H,21,23)
InChIKeyYOVOSWQKQOPRCG-UHFFFAOYSA-N
XLogP4.20
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-tert-butylphenyl)-N-methylthieno[3,2-c]pyridine-7-carboxamide?
The IUPAC name of 4-amino-2-(4-tert-butylphenyl)-N-methylthieno[3,2-c]pyridine-7-carboxamide (CID 56925456) is 4-amino-2-(4-tert-butylphenyl)-N-methylthieno[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for 4-amino-2-(4-tert-butylphenyl)-N-methylthieno[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for 4-amino-2-(4-tert-butylphenyl)-N-methylthieno[3,2-c]pyridine-7-carboxamide is CNC(=O)c1cnc(N)c2cc(-c3ccc(C(C)(C)C)cc3)sc12.
What is the InChIKey of 4-amino-2-(4-tert-butylphenyl)-N-methylthieno[3,2-c]pyridine-7-carboxamide?
The InChIKey is YOVOSWQKQOPRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-19(2,3)12-7-5-11(6-8-12)15-9-13-16(24-15)14(18(23)21-4)10-22-17(13)20/h5-10H,1-4H3,(H2,20,22)(H,21,23).
What are the key properties of 4-amino-2-(4-tert-butylphenyl)-N-methylthieno[3,2-c]pyridine-7-carboxamide?
4-amino-2-(4-tert-butylphenyl)-N-methylthieno[3,2-c]pyridine-7-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 4.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-tert-butylphenyl)-N-methylthieno[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 56925456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).