3-amino-N-(3-methylphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide

C19H15N3OS2 — CID 1035102

IUPAC3-amino-N-(3-methylphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cccc(NC(=O)c2sc3nc(-c4cccs4)ccc3c2N)c1
InChIInChI=1S/C19H15N3OS2/c1-11-4-2-5-12(10-11)21-18(23)17-16(20)13-7-8-14(22-19(13)25-17)15-6-3-9-24-15/h2-10H,20H2,1H3,(H,21,23)
InChIKeyHGGOFEQFYMLEFM-UHFFFAOYSA-N
MW365.48 g/mol
LogP5.17
Rot. Bonds3

About 3-amino-N-(3-methylphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-(3-methylphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 1035102) has the molecular formula C19H15N3OS2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 3-amino-N-(3-methylphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-methylphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID1035102
Molecular FormulaC19H15N3OS2
Molecular Weight365.48 g/mol
Exact Mass365.07
IUPAC Name3-amino-N-(3-methylphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cccc(NC(=O)c2sc3nc(-c4cccs4)ccc3c2N)c1
InChIInChI=1S/C19H15N3OS2/c1-11-4-2-5-12(10-11)21-18(23)17-16(20)13-7-8-14(22-19(13)25-17)15-6-3-9-24-15/h2-10H,20H2,1H3,(H,21,23)
InChIKeyHGGOFEQFYMLEFM-UHFFFAOYSA-N
XLogP5.17
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.48
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(4-phosphanylphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 170044369
3-amino-N-(3-methylphenyl)-6-propylthieno[2,3-b]pyridine-2-carboxamide
CID 23745667
3-amino-N-(2,4-dimethoxyphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 1003456
3-amino-N-(4-chloro-2-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 1003444
3,6-diamino-5-cyano-N-(3-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 939705
3-amino-4,5,6-trimethyl-N-(3-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23944794
3-amino-N-(4-methylphenyl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1040522
3-amino-N-[(3,4-dimethoxyphenyl)methyl]-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 1003782
3-amino-6-methyl-N-(3-methylphenyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 20866592
3-amino-6-(dimethoxymethyl)-N-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 2745223
3-amino-6-methyl-N-(3-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 1178305
3-(aminomethyl)-N-(2-bromophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 123187465

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-methylphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(3-methylphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide (CID 1035102) is 3-amino-N-(3-methylphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(3-methylphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(3-methylphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide is Cc1cccc(NC(=O)c2sc3nc(-c4cccs4)ccc3c2N)c1.
What is the InChIKey of 3-amino-N-(3-methylphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is HGGOFEQFYMLEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS2/c1-11-4-2-5-12(10-11)21-18(23)17-16(20)13-7-8-14(22-19(13)25-17)15-6-3-9-24-15/h2-10H,20H2,1H3,(H,21,23).
What are the key properties of 3-amino-N-(3-methylphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(3-methylphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 5.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-methylphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 1035102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).