3-amino-4-(3-methoxyphenyl)-6-phenyl-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide

C24H23N3O2S — CID 22597648

IUPAC3-amino-4-(3-methoxyphenyl)-6-phenyl-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1cccc(-c2cc(-c3ccccc3)nc3sc(C(=O)NC(C)C)c(N)c23)c1
InChIInChI=1S/C24H23N3O2S/c1-14(2)26-23(28)22-21(25)20-18(16-10-7-11-17(12-16)29-3)13-19(27-24(20)30-22)15-8-5-4-6-9-15/h4-14H,25H2,1-3H3,(H,26,28)
InChIKeyWOHUYVYRMDJMCU-UHFFFAOYSA-N
MW417.53 g/mol
LogP5.36
Rot. Bonds5

About 3-amino-4-(3-methoxyphenyl)-6-phenyl-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide

3-amino-4-(3-methoxyphenyl)-6-phenyl-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 22597648) has the molecular formula C24H23N3O2S and a molecular weight of 417.53 g/mol. Its IUPAC name is 3-amino-4-(3-methoxyphenyl)-6-phenyl-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-(3-methoxyphenyl)-6-phenyl-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID22597648
Molecular FormulaC24H23N3O2S
Molecular Weight417.53 g/mol
Exact Mass417.15
IUPAC Name3-amino-4-(3-methoxyphenyl)-6-phenyl-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1cccc(-c2cc(-c3ccccc3)nc3sc(C(=O)NC(C)C)c(N)c23)c1
InChIInChI=1S/C24H23N3O2S/c1-14(2)26-23(28)22-21(25)20-18(16-10-7-11-17(12-16)29-3)13-19(27-24(20)30-22)15-8-5-4-6-9-15/h4-14H,25H2,1-3H3,(H,26,28)
InChIKeyWOHUYVYRMDJMCU-UHFFFAOYSA-N
XLogP5.36
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.53
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-4-(4-methoxyphenyl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23743028
3-amino-N-benzyl-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23830081
ethyl 3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 1040515
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
N-(4-acetylphenyl)-3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3165281
3-amino-N-(2,5-dichlorophenyl)-6-(4-methoxyphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3129336
3-amino-4-(4-methoxyphenyl)-N-(5-methyl-2-pyridinyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23830129
3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid
CID 683021
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
5-amino-N-ethyl-4-(3-methoxyphenyl)-2-phenylthieno[2,3-d]pyrimidine-6-carboxamide
CID 139934875

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(3-methoxyphenyl)-6-phenyl-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4-(3-methoxyphenyl)-6-phenyl-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide (CID 22597648) is 3-amino-4-(3-methoxyphenyl)-6-phenyl-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4-(3-methoxyphenyl)-6-phenyl-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4-(3-methoxyphenyl)-6-phenyl-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide is COc1cccc(-c2cc(-c3ccccc3)nc3sc(C(=O)NC(C)C)c(N)c23)c1.
What is the InChIKey of 3-amino-4-(3-methoxyphenyl)-6-phenyl-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is WOHUYVYRMDJMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2S/c1-14(2)26-23(28)22-21(25)20-18(16-10-7-11-17(12-16)29-3)13-19(27-24(20)30-22)15-8-5-4-6-9-15/h4-14H,25H2,1-3H3,(H,26,28).
What are the key properties of 3-amino-4-(3-methoxyphenyl)-6-phenyl-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-4-(3-methoxyphenyl)-6-phenyl-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 417.53 g/mol, XLogP of 5.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(3-methoxyphenyl)-6-phenyl-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 22597648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).