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

C28H23N3O2S — CID 23830081

IUPAC3-amino-N-benzyl-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)NCc4ccccc4)c(N)c23)cc1
InChIInChI=1S/C28H23N3O2S/c1-33-21-14-12-19(13-15-21)22-16-23(20-10-6-3-7-11-20)31-28-24(22)25(29)26(34-28)27(32)30-17-18-8-4-2-5-9-18/h2-16H,17,29H2,1H3,(H,30,32)
InChIKeyQXSZNUFXQJRNBW-UHFFFAOYSA-N
MW465.58 g/mol
LogP6.15
Rot. Bonds6

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

3-amino-N-benzyl-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 23830081) has the molecular formula C28H23N3O2S and a molecular weight of 465.58 g/mol. Its IUPAC name is 3-amino-N-benzyl-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-benzyl-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID23830081
Molecular FormulaC28H23N3O2S
Molecular Weight465.58 g/mol
Exact Mass465.15
IUPAC Name3-amino-N-benzyl-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)NCc4ccccc4)c(N)c23)cc1
InChIInChI=1S/C28H23N3O2S/c1-33-21-14-12-19(13-15-21)22-16-23(20-10-6-3-7-11-20)31-28-24(22)25(29)26(34-28)27(32)30-17-18-8-4-2-5-9-18/h2-16H,17,29H2,1H3,(H,30,32)
InChIKeyQXSZNUFXQJRNBW-UHFFFAOYSA-N
XLogP6.15
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.58
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 1040515
3-amino-N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23970143
(4-methylphenyl) 3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 132557187
3-amino-4-(4-methoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23886209
N-(4-acetylphenyl)-3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3165281
3-amino-4-(4-methoxyphenyl)-N-(5-methyl-2-pyridinyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23830129
3-amino-N-(2,5-dichlorophenyl)-6-(4-methoxyphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3129336
3-amino-4,6-bis(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 984123
3-amino-4-(4-methylphenyl)-6-phenyl-N-prop-2-enylthieno[2,3-b]pyridine-2-carboxamide
CID 23997932
3-amino-N-(2,4-dimethoxyphenyl)-6-(4-ethoxyphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3133270
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-6-(4-methoxyphenyl)-N-phenyl-4-[4-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
CID 4086089

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-benzyl-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-benzyl-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide (CID 23830081) is 3-amino-N-benzyl-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-benzyl-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-benzyl-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide is COc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)NCc4ccccc4)c(N)c23)cc1.
What is the InChIKey of 3-amino-N-benzyl-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is QXSZNUFXQJRNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O2S/c1-33-21-14-12-19(13-15-21)22-16-23(20-10-6-3-7-11-20)31-28-24(22)25(29)26(34-28)27(32)30-17-18-8-4-2-5-9-18/h2-16H,17,29H2,1H3,(H,30,32).
What are the key properties of 3-amino-N-benzyl-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-benzyl-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 465.58 g/mol, XLogP of 6.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-benzyl-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 23830081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).