2-[[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonyl]amino]benzoic acid

C22H17N3O4S — CID 21233658

IUPAC2-[[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonyl]amino]benzoic acid
SMILESCOc1ccc(-c2ccc3c(N)c(C(=O)Nc4ccccc4C(=O)O)sc3n2)cc1
InChIInChI=1S/C22H17N3O4S/c1-29-13-8-6-12(7-9-13)16-11-10-15-18(23)19(30-21(15)25-16)20(26)24-17-5-3-2-4-14(17)22(27)28/h2-11H,23H2,1H3,(H,24,26)(H,27,28)
InChIKeyIWMRYDFPNPLTDE-UHFFFAOYSA-N
MW419.46 g/mol
LogP4.50
Rot. Bonds5

About 2-[[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonyl]amino]benzoic acid

2-[[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonyl]amino]benzoic acid (PubChem CID 21233658) has the molecular formula C22H17N3O4S and a molecular weight of 419.46 g/mol. Its IUPAC name is 2-[[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonyl]amino]benzoic acid
PubChem CID21233658
Molecular FormulaC22H17N3O4S
Molecular Weight419.46 g/mol
Exact Mass419.09
IUPAC Name2-[[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonyl]amino]benzoic acid
SMILESCOc1ccc(-c2ccc3c(N)c(C(=O)Nc4ccccc4C(=O)O)sc3n2)cc1
InChIInChI=1S/C22H17N3O4S/c1-29-13-8-6-12(7-9-13)16-11-10-15-18(23)19(30-21(15)25-16)20(26)24-17-5-3-2-4-14(17)22(27)28/h2-11H,23H2,1H3,(H,24,26)(H,27,28)
InChIKeyIWMRYDFPNPLTDE-UHFFFAOYSA-N
XLogP4.50
TPSA114.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonyl]amino]benzoic acid with MolForge

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Related Compounds

3-amino-N-(2-iodophenyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23745753
3-amino-N-(2-methoxyphenyl)-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 44616017
3-amino-6-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1004083
3-amino-N-(4-bromo-2-methylphenyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1004038
3-amino-N-(4-methoxy-2-methylphenyl)-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1239621
3-amino-N-(3,4-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 118940972
3-amino-N-(2-chlorophenyl)-6-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23913772
3-amino-N-(3-chloro-4-methoxyphenyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23861199
3-amino-N-(2-carbamoylphenyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 3599566
[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(4-methylphenyl)methanone
CID 1004090
3-amino-6-phenyl-N-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23772142
2-[(4-methoxybenzoyl)amino]benzoic acid
CID 721421

Frequently Asked Questions

What is the IUPAC name of 2-[[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonyl]amino]benzoic acid?
The IUPAC name of 2-[[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonyl]amino]benzoic acid (CID 21233658) is 2-[[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonyl]amino]benzoic acid.
What is the SMILES notation for 2-[[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonyl]amino]benzoic acid?
The canonical SMILES for 2-[[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonyl]amino]benzoic acid is COc1ccc(-c2ccc3c(N)c(C(=O)Nc4ccccc4C(=O)O)sc3n2)cc1.
What is the InChIKey of 2-[[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonyl]amino]benzoic acid?
The InChIKey is IWMRYDFPNPLTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O4S/c1-29-13-8-6-12(7-9-13)16-11-10-15-18(23)19(30-21(15)25-16)20(26)24-17-5-3-2-4-14(17)22(27)28/h2-11H,23H2,1H3,(H,24,26)(H,27,28).
What are the key properties of 2-[[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonyl]amino]benzoic acid?
2-[[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonyl]amino]benzoic acid has a molecular weight of 419.46 g/mol, XLogP of 4.50, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonyl]amino]benzoic acid is sourced from PubChem (CID 21233658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).