3-(aminomethyl)-N-(2-bromophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide

C19H14BrN3OS2 — CID 123187465

IUPAC3-(aminomethyl)-N-(2-bromophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESNCc1c(C(=O)Nc2ccccc2Br)sc2nc(-c3cccs3)ccc12
InChIInChI=1S/C19H14BrN3OS2/c20-13-4-1-2-5-14(13)22-18(24)17-12(10-21)11-7-8-15(23-19(11)26-17)16-6-3-9-25-16/h1-9H,10,21H2,(H,22,24)
InChIKeyVIVNFMXPIVCZST-UHFFFAOYSA-N
MW444.38 g/mol
LogP5.50
Rot. Bonds4

About 3-(aminomethyl)-N-(2-bromophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide

3-(aminomethyl)-N-(2-bromophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 123187465) has the molecular formula C19H14BrN3OS2 and a molecular weight of 444.38 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2-bromophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2-bromophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID123187465
Molecular FormulaC19H14BrN3OS2
Molecular Weight444.38 g/mol
Exact Mass442.98
IUPAC Name3-(aminomethyl)-N-(2-bromophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESNCc1c(C(=O)Nc2ccccc2Br)sc2nc(-c3cccs3)ccc12
InChIInChI=1S/C19H14BrN3OS2/c20-13-4-1-2-5-14(13)22-18(24)17-12(10-21)11-7-8-15(23-19(11)26-17)16-6-3-9-25-16/h1-9H,10,21H2,(H,22,24)
InChIKeyVIVNFMXPIVCZST-UHFFFAOYSA-N
XLogP5.50
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.38
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(2,4-dimethoxyphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 1003456
3-amino-N-(4-chloro-2-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 1003444
3-amino-N-(4-phosphanylphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 170044369
3-amino-N-(3-methylphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 1035102
3-bromo-N-(2-thiophen-2-ylphenyl)thiophene-2-carboxamide
CID 60778239
3-amino-N-[(3,4-dimethoxyphenyl)methyl]-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 1003782
4-amino-N-(2-bromophenyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116668499
3-amino-N-(2-chlorophenyl)-6-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23913772
N-(2-bromophenyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 56501540
2-[[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonyl]amino]benzoic acid
CID 21233658
N-(2-methylsulfanylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 1261690
3-amino-N-(2-iodophenyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23745753

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2-bromophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-(aminomethyl)-N-(2-bromophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide (CID 123187465) is 3-(aminomethyl)-N-(2-bromophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-(aminomethyl)-N-(2-bromophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-(aminomethyl)-N-(2-bromophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide is NCc1c(C(=O)Nc2ccccc2Br)sc2nc(-c3cccs3)ccc12.
What is the InChIKey of 3-(aminomethyl)-N-(2-bromophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is VIVNFMXPIVCZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN3OS2/c20-13-4-1-2-5-14(13)22-18(24)17-12(10-21)11-7-8-15(23-19(11)26-17)16-6-3-9-25-16/h1-9H,10,21H2,(H,22,24).
What are the key properties of 3-(aminomethyl)-N-(2-bromophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide?
3-(aminomethyl)-N-(2-bromophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 444.38 g/mol, XLogP of 5.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2-bromophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 123187465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).