3-amino-N-(4-chlorophenyl)-4,6-dimethylthieno[2,3-b]pyridin-7-ium-2-carboxamide

C16H15ClN3OS+ — CID 4536570

IUPAC3-amino-N-(4-chlorophenyl)-4,6-dimethylthieno[2,3-b]pyridin-7-ium-2-carboxamide
SMILESCc1cc(C)c2c(N)c(C(=O)Nc3ccc(Cl)cc3)sc2[nH+]1
InChIInChI=1S/C16H14ClN3OS/c1-8-7-9(2)19-16-12(8)13(18)14(22-16)15(21)20-11-5-3-10(17)4-6-11/h3-7H,18H2,1-2H3,(H,20,21)/p+1
InChIKeyPGTFNOFNCGJFDD-UHFFFAOYSA-O
MW332.84 g/mol
LogP3.82
Rot. Bonds2

About 3-amino-N-(4-chlorophenyl)-4,6-dimethylthieno[2,3-b]pyridin-7-ium-2-carboxamide

3-amino-N-(4-chlorophenyl)-4,6-dimethylthieno[2,3-b]pyridin-7-ium-2-carboxamide (PubChem CID 4536570) has the molecular formula C16H15ClN3OS+ and a molecular weight of 332.84 g/mol. Its IUPAC name is 3-amino-N-(4-chlorophenyl)-4,6-dimethylthieno[2,3-b]pyridin-7-ium-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-chlorophenyl)-4,6-dimethylthieno[2,3-b]pyridin-7-ium-2-carboxamide
PubChem CID4536570
Molecular FormulaC16H15ClN3OS+
Molecular Weight332.84 g/mol
Exact Mass332.06
IUPAC Name3-amino-N-(4-chlorophenyl)-4,6-dimethylthieno[2,3-b]pyridin-7-ium-2-carboxamide
SMILESCc1cc(C)c2c(N)c(C(=O)Nc3ccc(Cl)cc3)sc2[nH+]1
InChIInChI=1S/C16H14ClN3OS/c1-8-7-9(2)19-16-12(8)13(18)14(22-16)15(21)20-11-5-3-10(17)4-6-11/h3-7H,18H2,1-2H3,(H,20,21)/p+1
InChIKeyPGTFNOFNCGJFDD-UHFFFAOYSA-O
XLogP3.82
TPSA69.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-(4-chlorophenyl)-4,6-dimethylthieno[2,3-b]pyridin-7-ium-2-carboxamide with MolForge

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Related Compounds

N-(4-acetylphenyl)-3-amino-4,6-dimethylthieno[2,3-b]pyridin-7-ium-2-carboxamide
CID 3514934
3-amino-N-(4-chlorophenyl)-7-methyl-1-benzothiophene-2-carboxamide
CID 107112776
2-amino-N-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62793569
butan-2-yl 3-amino-4,6-dimethylthieno[2,3-b]pyridin-7-ium-2-carboxylate
CID 4624136
3-amino-N-(3,4-dichlorophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 1144500
3-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridin-7-ium-2-carboxamide
CID 4748161
N-(4-chlorophenyl)-3-methylthiophene-2-carboxamide
CID 26087540
3-amino-N-(3,4-dichlorophenyl)-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
CID 5299650
3-amino-5-benzoyl-N-(4-chlorophenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 162395187
3-amino-N-(4-chlorophenyl)thiophene-2-carboxamide
CID 61092440
3-amino-4,6-dimethyl-N-(4-propan-2-yloxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1187975
3-amino-N-(4-ethoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 734377

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-chlorophenyl)-4,6-dimethylthieno[2,3-b]pyridin-7-ium-2-carboxamide?
The IUPAC name of 3-amino-N-(4-chlorophenyl)-4,6-dimethylthieno[2,3-b]pyridin-7-ium-2-carboxamide (CID 4536570) is 3-amino-N-(4-chlorophenyl)-4,6-dimethylthieno[2,3-b]pyridin-7-ium-2-carboxamide.
What is the SMILES notation for 3-amino-N-(4-chlorophenyl)-4,6-dimethylthieno[2,3-b]pyridin-7-ium-2-carboxamide?
The canonical SMILES for 3-amino-N-(4-chlorophenyl)-4,6-dimethylthieno[2,3-b]pyridin-7-ium-2-carboxamide is Cc1cc(C)c2c(N)c(C(=O)Nc3ccc(Cl)cc3)sc2[nH+]1.
What is the InChIKey of 3-amino-N-(4-chlorophenyl)-4,6-dimethylthieno[2,3-b]pyridin-7-ium-2-carboxamide?
The InChIKey is PGTFNOFNCGJFDD-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H14ClN3OS/c1-8-7-9(2)19-16-12(8)13(18)14(22-16)15(21)20-11-5-3-10(17)4-6-11/h3-7H,18H2,1-2H3,(H,20,21)/p+1.
What are the key properties of 3-amino-N-(4-chlorophenyl)-4,6-dimethylthieno[2,3-b]pyridin-7-ium-2-carboxamide?
3-amino-N-(4-chlorophenyl)-4,6-dimethylthieno[2,3-b]pyridin-7-ium-2-carboxamide has a molecular weight of 332.84 g/mol, XLogP of 3.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-chlorophenyl)-4,6-dimethylthieno[2,3-b]pyridin-7-ium-2-carboxamide is sourced from PubChem (CID 4536570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).