4-(4-bromo-N-methylanilino)thieno[2,3-c]pyridine-2-carboxamide

C15H12BrN3OS — CID 58622460

IUPAC4-(4-bromo-N-methylanilino)thieno[2,3-c]pyridine-2-carboxamide
SMILESCN(c1ccc(Br)cc1)c1cncc2sc(C(N)=O)cc12
InChIInChI=1S/C15H12BrN3OS/c1-19(10-4-2-9(16)3-5-10)12-7-18-8-14-11(12)6-13(21-14)15(17)20/h2-8H,1H3,(H2,17,20)
InChIKeyJTKDEGOPCIKWTE-UHFFFAOYSA-N
MW362.25 g/mol
LogP3.93
Rot. Bonds3

About 4-(4-bromo-N-methylanilino)thieno[2,3-c]pyridine-2-carboxamide

4-(4-bromo-N-methylanilino)thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 58622460) has the molecular formula C15H12BrN3OS and a molecular weight of 362.25 g/mol. Its IUPAC name is 4-(4-bromo-N-methylanilino)thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-bromo-N-methylanilino)thieno[2,3-c]pyridine-2-carboxamide
PubChem CID58622460
Molecular FormulaC15H12BrN3OS
Molecular Weight362.25 g/mol
Exact Mass360.99
IUPAC Name4-(4-bromo-N-methylanilino)thieno[2,3-c]pyridine-2-carboxamide
SMILESCN(c1ccc(Br)cc1)c1cncc2sc(C(N)=O)cc12
InChIInChI=1S/C15H12BrN3OS/c1-19(10-4-2-9(16)3-5-10)12-7-18-8-14-11(12)6-13(21-14)15(17)20/h2-8H,1H3,(H2,17,20)
InChIKeyJTKDEGOPCIKWTE-UHFFFAOYSA-N
XLogP3.93
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.25
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-Phenylphenyl)amino]thieno[2,3-c]pyridine-2-carboxamide
CID 25218748
5-(4-Bromophenyl)-13-(methylamino)-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 15953801
5-(4-Bromophenyl)-13-(dimethylamino)-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 16118123
4-(4-Bromophenyl)sulfanylthieno[2,3-c]pyridine-2-carboxamide
CID 9947244
4-(Phenylthio)thieno[2,3-c]pyridine-2-carboxamide
CID 9965679
5-(4-Bromophenyl)-13-(ethylamino)-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 16118685
4-(4-Bromophenyl)thieno[2,3-c]pyridine-2-carboxamide
CID 18516106
N-(4-bromophenyl)-4-fluorothieno[2,3-c]pyridine-2-carboxamide
CID 58622649
3-(4-Bromo-2-fluoroanilino)thieno[3,2-c]pyridine-2-carboxamide
CID 143635971
3-amino-N-(4-bromophenyl)-5-(trifluoromethyl)thieno[2,3-c]pyridine-2-carboxamide
CID 155201853
5-bromo-N-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]thieno[2,3-b]pyridine-2-carboxamide
CID 155287937
3-amino-N-(4-bromophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 41316285

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-N-methylanilino)thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 4-(4-bromo-N-methylanilino)thieno[2,3-c]pyridine-2-carboxamide (CID 58622460) is 4-(4-bromo-N-methylanilino)thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-bromo-N-methylanilino)thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 4-(4-bromo-N-methylanilino)thieno[2,3-c]pyridine-2-carboxamide is CN(c1ccc(Br)cc1)c1cncc2sc(C(N)=O)cc12.
What is the InChIKey of 4-(4-bromo-N-methylanilino)thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is JTKDEGOPCIKWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3OS/c1-19(10-4-2-9(16)3-5-10)12-7-18-8-14-11(12)6-13(21-14)15(17)20/h2-8H,1H3,(H2,17,20).
What are the key properties of 4-(4-bromo-N-methylanilino)thieno[2,3-c]pyridine-2-carboxamide?
4-(4-bromo-N-methylanilino)thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 362.25 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-N-methylanilino)thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 58622460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).