3-amino-4,6-dimethyl-N-(4-methyl-3-nitrophenyl)thieno[2,3-b]pyridine-2-carboxamide

C17H16N4O3S — CID 23888941

IUPAC3-amino-4,6-dimethyl-N-(4-methyl-3-nitrophenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C)c2c(N)c(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)sc2n1
InChIInChI=1S/C17H16N4O3S/c1-8-4-5-11(7-12(8)21(23)24)20-16(22)15-14(18)13-9(2)6-10(3)19-17(13)25-15/h4-7H,18H2,1-3H3,(H,20,22)
InChIKeyATKBCNDYLMMICP-UHFFFAOYSA-N
MW356.41 g/mol
LogP3.96
Rot. Bonds3

About 3-amino-4,6-dimethyl-N-(4-methyl-3-nitrophenyl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-4,6-dimethyl-N-(4-methyl-3-nitrophenyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 23888941) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is 3-amino-4,6-dimethyl-N-(4-methyl-3-nitrophenyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4,6-dimethyl-N-(4-methyl-3-nitrophenyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID23888941
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC Name3-amino-4,6-dimethyl-N-(4-methyl-3-nitrophenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C)c2c(N)c(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)sc2n1
InChIInChI=1S/C17H16N4O3S/c1-8-4-5-11(7-12(8)21(23)24)20-16(22)15-14(18)13-9(2)6-10(3)19-17(13)25-15/h4-7H,18H2,1-3H3,(H,20,22)
InChIKeyATKBCNDYLMMICP-UHFFFAOYSA-N
XLogP3.96
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(3,4-dichlorophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 1144500
3-amino-4,6-dimethyl-N-(4-propan-2-yloxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1187975
6-amino-N-(4-methyl-3-nitrophenyl)-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carboxamide
CID 23888892
3-amino-N-(4-ethoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 734377
3-amino-N-[4-(diaminomethylideneamino)sulfonylphenyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 170908748
3-amino-6-(difluoromethyl)-4-methyl-N-(3-nitrophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19581270
3-amino-N-(2-hydroxyethyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 14510410
3-amino-N-(3-fluoro-4-methylphenyl)-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 39369026
3-amino-N-(3,4-dimethylphenyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide
CID 171133101
3-amino-4,6-dimethyl-N-(2-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 707443
3-amino-N-cyclohexyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 865531
3-amino-N-benzyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 734373

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,6-dimethyl-N-(4-methyl-3-nitrophenyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4,6-dimethyl-N-(4-methyl-3-nitrophenyl)thieno[2,3-b]pyridine-2-carboxamide (CID 23888941) is 3-amino-4,6-dimethyl-N-(4-methyl-3-nitrophenyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4,6-dimethyl-N-(4-methyl-3-nitrophenyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4,6-dimethyl-N-(4-methyl-3-nitrophenyl)thieno[2,3-b]pyridine-2-carboxamide is Cc1cc(C)c2c(N)c(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)sc2n1.
What is the InChIKey of 3-amino-4,6-dimethyl-N-(4-methyl-3-nitrophenyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is ATKBCNDYLMMICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c1-8-4-5-11(7-12(8)21(23)24)20-16(22)15-14(18)13-9(2)6-10(3)19-17(13)25-15/h4-7H,18H2,1-3H3,(H,20,22).
What are the key properties of 3-amino-4,6-dimethyl-N-(4-methyl-3-nitrophenyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-4,6-dimethyl-N-(4-methyl-3-nitrophenyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 356.41 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,6-dimethyl-N-(4-methyl-3-nitrophenyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 23888941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).