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

C18H18N3O2S+ — CID 3514934

IUPACN-(4-acetylphenyl)-3-amino-4,6-dimethylthieno[2,3-b]pyridin-7-ium-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2sc3[nH+]c(C)cc(C)c3c2N)cc1
InChIInChI=1S/C18H17N3O2S/c1-9-8-10(2)20-18-14(9)15(19)16(24-18)17(23)21-13-6-4-12(5-7-13)11(3)22/h4-8H,19H2,1-3H3,(H,21,23)/p+1
InChIKeyBUZQLKXFKWGWSZ-UHFFFAOYSA-O
MW340.43 g/mol
LogP3.37
Rot. Bonds3

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

N-(4-acetylphenyl)-3-amino-4,6-dimethylthieno[2,3-b]pyridin-7-ium-2-carboxamide (PubChem CID 3514934) has the molecular formula C18H18N3O2S+ and a molecular weight of 340.43 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-amino-4,6-dimethylthieno[2,3-b]pyridin-7-ium-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-amino-4,6-dimethylthieno[2,3-b]pyridin-7-ium-2-carboxamide
PubChem CID3514934
Molecular FormulaC18H18N3O2S+
Molecular Weight340.43 g/mol
Exact Mass340.11
IUPAC NameN-(4-acetylphenyl)-3-amino-4,6-dimethylthieno[2,3-b]pyridin-7-ium-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2sc3[nH+]c(C)cc(C)c3c2N)cc1
InChIInChI=1S/C18H17N3O2S/c1-9-8-10(2)20-18-14(9)15(19)16(24-18)17(23)21-13-6-4-12(5-7-13)11(3)22/h4-8H,19H2,1-3H3,(H,21,23)/p+1
InChIKeyBUZQLKXFKWGWSZ-UHFFFAOYSA-O
XLogP3.37
TPSA86.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(4-chlorophenyl)-4,6-dimethylthieno[2,3-b]pyridin-7-ium-2-carboxamide
CID 4536570
butan-2-yl 3-amino-4,6-dimethylthieno[2,3-b]pyridin-7-ium-2-carboxylate
CID 4624136
1-N-(4-acetylphenyl)-4-N-(3,4-dimethylphenyl)benzene-1,4-dicarboxamide
CID 109049646
N-(4-acetylphenyl)-3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3165281
N-(4-acetylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 24702385
3-amino-4,6-dimethyl-N-(4-propan-2-yloxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1187975
3-amino-N-(3,4-dichlorophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 1144500
N-(4-acetylphenyl)-2-amino-4-phenyl-1,3-thiazole-5-carboxamide
CID 39071356
3-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridin-7-ium-2-carboxamide
CID 4748161
1-N-(4-acetylphenyl)-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049917
3-amino-N-(4-ethoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 734377
6-amino-N-(4-methylphenyl)-4-thia-2-azoniatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide
CID 4749843

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-amino-4,6-dimethylthieno[2,3-b]pyridin-7-ium-2-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-3-amino-4,6-dimethylthieno[2,3-b]pyridin-7-ium-2-carboxamide (CID 3514934) is N-(4-acetylphenyl)-3-amino-4,6-dimethylthieno[2,3-b]pyridin-7-ium-2-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-amino-4,6-dimethylthieno[2,3-b]pyridin-7-ium-2-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-3-amino-4,6-dimethylthieno[2,3-b]pyridin-7-ium-2-carboxamide is CC(=O)c1ccc(NC(=O)c2sc3[nH+]c(C)cc(C)c3c2N)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-amino-4,6-dimethylthieno[2,3-b]pyridin-7-ium-2-carboxamide?
The InChIKey is BUZQLKXFKWGWSZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H17N3O2S/c1-9-8-10(2)20-18-14(9)15(19)16(24-18)17(23)21-13-6-4-12(5-7-13)11(3)22/h4-8H,19H2,1-3H3,(H,21,23)/p+1.
What are the key properties of N-(4-acetylphenyl)-3-amino-4,6-dimethylthieno[2,3-b]pyridin-7-ium-2-carboxamide?
N-(4-acetylphenyl)-3-amino-4,6-dimethylthieno[2,3-b]pyridin-7-ium-2-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-amino-4,6-dimethylthieno[2,3-b]pyridin-7-ium-2-carboxamide is sourced from PubChem (CID 3514934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).