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

C27H19Cl2N3OS — CID 3133359

IUPAC3-amino-N-(2,3-dichlorophenyl)-6-(4-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc(-c2cc(-c3ccccc3)c3c(N)c(C(=O)Nc4cccc(Cl)c4Cl)sc3n2)cc1
InChIInChI=1S/C27H19Cl2N3OS/c1-15-10-12-17(13-11-15)21-14-18(16-6-3-2-4-7-16)22-24(30)25(34-27(22)32-21)26(33)31-20-9-5-8-19(28)23(20)29/h2-14H,30H2,1H3,(H,31,33)
InChIKeyGDXXRZDBZJRTEZ-UHFFFAOYSA-N
MW504.44 g/mol
LogP8.08
Rot. Bonds4

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

3-amino-N-(2,3-dichlorophenyl)-6-(4-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 3133359) has the molecular formula C27H19Cl2N3OS and a molecular weight of 504.44 g/mol. Its IUPAC name is 3-amino-N-(2,3-dichlorophenyl)-6-(4-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2,3-dichlorophenyl)-6-(4-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID3133359
Molecular FormulaC27H19Cl2N3OS
Molecular Weight504.44 g/mol
Exact Mass503.06
IUPAC Name3-amino-N-(2,3-dichlorophenyl)-6-(4-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc(-c2cc(-c3ccccc3)c3c(N)c(C(=O)Nc4cccc(Cl)c4Cl)sc3n2)cc1
InChIInChI=1S/C27H19Cl2N3OS/c1-15-10-12-17(13-11-15)21-14-18(16-6-3-2-4-7-16)22-24(30)25(34-27(22)32-21)26(33)31-20-9-5-8-19(28)23(20)29/h2-14H,30H2,1H3,(H,31,33)
InChIKeyGDXXRZDBZJRTEZ-UHFFFAOYSA-N
XLogP8.08
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.44
LogP ≤ 58.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(2-ethylphenyl)-6-(4-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3165582
3-amino-4-(4-chlorophenyl)-6-(4-methylphenyl)-N-(2,4,6-trichlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3133451
3-amino-N-(2,5-dichlorophenyl)-6-(4-methoxyphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3129336
3-amino-N-(3-chlorophenyl)-6-(4-chlorophenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3125157
3-amino-4,6-bis(4-chlorophenyl)-N-(2-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3132346
ethyl 3-amino-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 15681722
3-amino-4-(4-methoxyphenyl)-N-(5-methyl-2-pyridinyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23830129
3-amino-N-(5-chloro-2-methylphenyl)-4,6-bis(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3134250
3-amino-4-(4-methylphenyl)-6-phenyl-N-prop-2-enylthieno[2,3-b]pyridine-2-carboxamide
CID 23997932
3-amino-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23998031
3-amino-4-(4-methoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23886209
3-amino-N-(3-chlorophenyl)-4,6-bis(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3132344

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,3-dichlorophenyl)-6-(4-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(2,3-dichlorophenyl)-6-(4-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide (CID 3133359) is 3-amino-N-(2,3-dichlorophenyl)-6-(4-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2,3-dichlorophenyl)-6-(4-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(2,3-dichlorophenyl)-6-(4-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide is Cc1ccc(-c2cc(-c3ccccc3)c3c(N)c(C(=O)Nc4cccc(Cl)c4Cl)sc3n2)cc1.
What is the InChIKey of 3-amino-N-(2,3-dichlorophenyl)-6-(4-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is GDXXRZDBZJRTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19Cl2N3OS/c1-15-10-12-17(13-11-15)21-14-18(16-6-3-2-4-7-16)22-24(30)25(34-27(22)32-21)26(33)31-20-9-5-8-19(28)23(20)29/h2-14H,30H2,1H3,(H,31,33).
What are the key properties of 3-amino-N-(2,3-dichlorophenyl)-6-(4-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(2,3-dichlorophenyl)-6-(4-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 504.44 g/mol, XLogP of 8.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,3-dichlorophenyl)-6-(4-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 3133359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).