3-amino-6-(4-chlorophenyl)-N-(1-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide

C22H18ClN3OS — CID 23772120

IUPAC3-amino-6-(4-chlorophenyl)-N-(1-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCC(NC(=O)c1sc2nc(-c3ccc(Cl)cc3)ccc2c1N)c1ccccc1
InChIInChI=1S/C22H18ClN3OS/c1-13(14-5-3-2-4-6-14)25-21(27)20-19(24)17-11-12-18(26-22(17)28-20)15-7-9-16(23)10-8-15/h2-13H,24H2,1H3,(H,25,27)
InChIKeySDGBPEMFHGOANY-UHFFFAOYSA-N
MW407.93 g/mol
LogP5.69
Rot. Bonds4

About 3-amino-6-(4-chlorophenyl)-N-(1-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-6-(4-chlorophenyl)-N-(1-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 23772120) has the molecular formula C22H18ClN3OS and a molecular weight of 407.93 g/mol. Its IUPAC name is 3-amino-6-(4-chlorophenyl)-N-(1-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(4-chlorophenyl)-N-(1-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID23772120
Molecular FormulaC22H18ClN3OS
Molecular Weight407.93 g/mol
Exact Mass407.09
IUPAC Name3-amino-6-(4-chlorophenyl)-N-(1-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCC(NC(=O)c1sc2nc(-c3ccc(Cl)cc3)ccc2c1N)c1ccccc1
InChIInChI=1S/C22H18ClN3OS/c1-13(14-5-3-2-4-6-14)25-21(27)20-19(24)17-11-12-18(26-22(17)28-20)15-7-9-16(23)10-8-15/h2-13H,24H2,1H3,(H,25,27)
InChIKeySDGBPEMFHGOANY-UHFFFAOYSA-N
XLogP5.69
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.93
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(2-chlorophenyl)-6-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23913772
3-amino-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23914363
3-amino-N-(1,3-benzothiazol-2-yl)-6-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23772153
3-amino-N-benzyl-6-(4-chlorophenyl)-N-methylthieno[2,3-b]pyridine-2-carboxamide
CID 23744153
5-amino-N-(1-phenylethyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80515473
3-amino-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carbohydrazide
CID 53270913
[3-amino-6-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]-thiophen-2-ylmethanone
CID 23943421
4-(4-chlorophenyl)-N-(1-phenylethyl)thiadiazole-5-carboxamide
CID 133200533
2-[[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonyl]amino]benzoic acid
CID 21233658
(3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-(4-methylphenyl)methanone
CID 765624
3-amino-N-(2-iodophenyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23745753
4-[3-amino-6-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carbonyl]-3-phenyloxadiazol-3-ium-5-olate
CID 53296417

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(4-chlorophenyl)-N-(1-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-(4-chlorophenyl)-N-(1-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 23772120) is 3-amino-6-(4-chlorophenyl)-N-(1-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(4-chlorophenyl)-N-(1-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-(4-chlorophenyl)-N-(1-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide is CC(NC(=O)c1sc2nc(-c3ccc(Cl)cc3)ccc2c1N)c1ccccc1.
What is the InChIKey of 3-amino-6-(4-chlorophenyl)-N-(1-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is SDGBPEMFHGOANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3OS/c1-13(14-5-3-2-4-6-14)25-21(27)20-19(24)17-11-12-18(26-22(17)28-20)15-7-9-16(23)10-8-15/h2-13H,24H2,1H3,(H,25,27).
What are the key properties of 3-amino-6-(4-chlorophenyl)-N-(1-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-6-(4-chlorophenyl)-N-(1-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 407.93 g/mol, XLogP of 5.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(4-chlorophenyl)-N-(1-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 23772120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).