3-amino-5-benzoyl-N-(4-chlorophenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide

C22H16ClN3O2S — CID 162395187

IUPAC3-amino-5-benzoyl-N-(4-chlorophenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1nc2sc(C(=O)Nc3ccc(Cl)cc3)c(N)c2cc1C(=O)c1ccccc1
InChIInChI=1S/C22H16ClN3O2S/c1-12-16(19(27)13-5-3-2-4-6-13)11-17-18(24)20(29-22(17)25-12)21(28)26-15-9-7-14(23)8-10-15/h2-11H,24H2,1H3,(H,26,28)
InChIKeyQDERAIUOKYVVER-UHFFFAOYSA-N
MW421.91 g/mol
LogP5.32
Rot. Bonds4

About 3-amino-5-benzoyl-N-(4-chlorophenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-5-benzoyl-N-(4-chlorophenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 162395187) has the molecular formula C22H16ClN3O2S and a molecular weight of 421.91 g/mol. Its IUPAC name is 3-amino-5-benzoyl-N-(4-chlorophenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-benzoyl-N-(4-chlorophenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID162395187
Molecular FormulaC22H16ClN3O2S
Molecular Weight421.91 g/mol
Exact Mass421.07
IUPAC Name3-amino-5-benzoyl-N-(4-chlorophenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1nc2sc(C(=O)Nc3ccc(Cl)cc3)c(N)c2cc1C(=O)c1ccccc1
InChIInChI=1S/C22H16ClN3O2S/c1-12-16(19(27)13-5-3-2-4-6-13)11-17-18(24)20(29-22(17)25-12)21(28)26-15-9-7-14(23)8-10-15/h2-11H,24H2,1H3,(H,26,28)
InChIKeyQDERAIUOKYVVER-UHFFFAOYSA-N
XLogP5.32
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.91
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-benzoyl-N-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 155812590
3-amino-2-(4-chlorobenzoyl)-4,6-dimethyl-N-phenylthieno[2,3-b]pyridine-5-carboxamide
CID 1007127
3-amino-N-(4-methoxyphenyl)-6-methyl-5-[(E)-3-phenylprop-2-enoyl]thieno[2,3-b]pyridine-2-carboxamide
CID 155927135
3-amino-N-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 1005081
ethyl 3-[(3-amino-5,6-dimethylthieno[2,3-b]pyridine-2-carbonyl)amino]benzoate
CID 171133227
3-amino-N-(4-benzoylphenyl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23832664
2-amino-N-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62793569
3-amino-N-(4-chlorophenyl)-7-methyl-1-benzothiophene-2-carboxamide
CID 107112776
3-amino-N-(3,4-dichlorophenyl)-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
CID 5299650
3-amino-N-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridin-6-ium-2-carboxamide
CID 144641939
5-acetyl-3-amino-N-isoquinolin-8-yl-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 155927644
3-amino-5-[hydroxy-(4-methoxyphenyl)methyl]-N-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 162421447

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-benzoyl-N-(4-chlorophenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-5-benzoyl-N-(4-chlorophenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 162395187) is 3-amino-5-benzoyl-N-(4-chlorophenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-5-benzoyl-N-(4-chlorophenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-5-benzoyl-N-(4-chlorophenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide is Cc1nc2sc(C(=O)Nc3ccc(Cl)cc3)c(N)c2cc1C(=O)c1ccccc1.
What is the InChIKey of 3-amino-5-benzoyl-N-(4-chlorophenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is QDERAIUOKYVVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O2S/c1-12-16(19(27)13-5-3-2-4-6-13)11-17-18(24)20(29-22(17)25-12)21(28)26-15-9-7-14(23)8-10-15/h2-11H,24H2,1H3,(H,26,28).
What are the key properties of 3-amino-5-benzoyl-N-(4-chlorophenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-5-benzoyl-N-(4-chlorophenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 421.91 g/mol, XLogP of 5.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-benzoyl-N-(4-chlorophenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 162395187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).