3-amino-N-(2-ethylphenyl)-6-(4-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide

C29H25N3OS — CID 3165582

IUPAC3-amino-N-(2-ethylphenyl)-6-(4-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCc1ccccc1NC(=O)c1sc2nc(-c3ccc(C)cc3)cc(-c3ccccc3)c2c1N
InChIInChI=1S/C29H25N3OS/c1-3-19-9-7-8-12-23(19)31-28(33)27-26(30)25-22(20-10-5-4-6-11-20)17-24(32-29(25)34-27)21-15-13-18(2)14-16-21/h4-17H,3,30H2,1-2H3,(H,31,33)
InChIKeyOFFBTDOBXHFSGS-UHFFFAOYSA-N
MW463.61 g/mol
LogP7.34
Rot. Bonds5

About 3-amino-N-(2-ethylphenyl)-6-(4-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-(2-ethylphenyl)-6-(4-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 3165582) has the molecular formula C29H25N3OS and a molecular weight of 463.61 g/mol. Its IUPAC name is 3-amino-N-(2-ethylphenyl)-6-(4-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-ethylphenyl)-6-(4-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID3165582
Molecular FormulaC29H25N3OS
Molecular Weight463.61 g/mol
Exact Mass463.17
IUPAC Name3-amino-N-(2-ethylphenyl)-6-(4-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCc1ccccc1NC(=O)c1sc2nc(-c3ccc(C)cc3)cc(-c3ccccc3)c2c1N
InChIInChI=1S/C29H25N3OS/c1-3-19-9-7-8-12-23(19)31-28(33)27-26(30)25-22(20-10-5-4-6-11-20)17-24(32-29(25)34-27)21-15-13-18(2)14-16-21/h4-17H,3,30H2,1-2H3,(H,31,33)
InChIKeyOFFBTDOBXHFSGS-UHFFFAOYSA-N
XLogP7.34
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.61
LogP ≤ 57.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(2,3-dichlorophenyl)-6-(4-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3133359
ethyl 3-amino-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 15681722
3-amino-4-(4-methylphenyl)-6-phenyl-N-prop-2-enylthieno[2,3-b]pyridine-2-carboxamide
CID 23997932
3-amino-4-(4-methoxyphenyl)-N-(5-methyl-2-pyridinyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23830129
ethyl 3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 1040515
3-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23801341
3-amino-4-(4-methoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23886209
(4-methylphenyl) 3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 132557187
3-amino-N-(2,4-dimethoxyphenyl)-6-(4-ethoxyphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3133270
3-amino-6-(4-methylphenyl)-N,N,4-triphenylthieno[2,3-b]pyridine-2-carboxamide
CID 3165376
3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid
CID 683021
3-amino-4,6-bis(4-chlorophenyl)-N-(2-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3132346

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-ethylphenyl)-6-(4-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(2-ethylphenyl)-6-(4-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide (CID 3165582) is 3-amino-N-(2-ethylphenyl)-6-(4-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-ethylphenyl)-6-(4-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-ethylphenyl)-6-(4-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide is CCc1ccccc1NC(=O)c1sc2nc(-c3ccc(C)cc3)cc(-c3ccccc3)c2c1N.
What is the InChIKey of 3-amino-N-(2-ethylphenyl)-6-(4-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is OFFBTDOBXHFSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N3OS/c1-3-19-9-7-8-12-23(19)31-28(33)27-26(30)25-22(20-10-5-4-6-11-20)17-24(32-29(25)34-27)21-15-13-18(2)14-16-21/h4-17H,3,30H2,1-2H3,(H,31,33).
What are the key properties of 3-amino-N-(2-ethylphenyl)-6-(4-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(2-ethylphenyl)-6-(4-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 463.61 g/mol, XLogP of 7.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-ethylphenyl)-6-(4-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 3165582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).