7-(3,4-dimethoxyphenyl)-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboximidamide

C17H17N3O3S — CID 154670994

IUPAC7-(3,4-dimethoxyphenyl)-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc2c(=O)n(C)cc(-c3ccc(OC)c(OC)c3)c2s1
InChIInChI=1S/C17H17N3O3S/c1-20-8-11(9-4-5-12(22-2)13(6-9)23-3)15-10(17(20)21)7-14(24-15)16(18)19/h4-8H,1-3H3,(H3,18,19)
InChIKeyJHXHSOFNVAALKU-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.57
Rot. Bonds4

About 7-(3,4-dimethoxyphenyl)-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboximidamide

7-(3,4-dimethoxyphenyl)-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboximidamide (PubChem CID 154670994) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 7-(3,4-dimethoxyphenyl)-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboximidamide.

Molecular Properties

Compound Name7-(3,4-dimethoxyphenyl)-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboximidamide
PubChem CID154670994
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name7-(3,4-dimethoxyphenyl)-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc2c(=O)n(C)cc(-c3ccc(OC)c(OC)c3)c2s1
InChIInChI=1S/C17H17N3O3S/c1-20-8-11(9-4-5-12(22-2)13(6-9)23-3)15-10(17(20)21)7-14(24-15)16(18)19/h4-8H,1-3H3,(H3,18,19)
InChIKeyJHXHSOFNVAALKU-UHFFFAOYSA-N
XLogP2.57
TPSA90.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(1,1-dioxothian-4-yl)-7-[3-methoxy-4-(methylsulfanylmethoxy)phenyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboximidamide
CID 155459869
2-[[7-(3,4-dimethoxyphenyl)-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]methyl-methylamino]ethylcarbamic acid
CID 122603158
N-[2-[[7-(3,4-dimethoxyphenyl)-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]methylamino]ethyl]methanesulfonamide
CID 74763673
7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxylic acid
CID 156817543
7-bromo-4-methoxy-1-benzothiophene-2-carboximidamide;hydrochloride
CID 19007709
7-(3,4-dimethoxyphenyl)-5-methyl-2-[(3-methylmorpholin-4-yl)methyl]thieno[3,2-c]pyridin-4-one
CID 90156217
4-[[7-(3,4-dimethoxyphenyl)-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]methyl]-2-methylpiperazine-1-carboxylic acid
CID 90156793
5-[5-(3,4,5-trimethoxyphenyl)thiophen-2-yl]thiophene-2-carboximidamide
CID 155515500
1-[[7-(3,4-dimethoxyphenyl)-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]methyl]-2-methylpiperazine-2-carboxylic acid
CID 126640548
methyl 1-[[7-(3,4-dimethoxyphenyl)-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]methyl]-4-methoxypiperazine-2-carboxylate
CID 126660711
tert-butyl 4-[[7-(3,4-dimethoxyphenyl)-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]methyl]-1,4-diazepane-1-carboxylate
CID 122603132
7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2,5-dimethylthieno[3,2-c]pyridin-4-one
CID 156817535

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dimethoxyphenyl)-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboximidamide?
The IUPAC name of 7-(3,4-dimethoxyphenyl)-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboximidamide (CID 154670994) is 7-(3,4-dimethoxyphenyl)-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboximidamide.
What is the SMILES notation for 7-(3,4-dimethoxyphenyl)-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboximidamide?
The canonical SMILES for 7-(3,4-dimethoxyphenyl)-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboximidamide is [H]/N=C(\N)c1cc2c(=O)n(C)cc(-c3ccc(OC)c(OC)c3)c2s1.
What is the InChIKey of 7-(3,4-dimethoxyphenyl)-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboximidamide?
The InChIKey is JHXHSOFNVAALKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-20-8-11(9-4-5-12(22-2)13(6-9)23-3)15-10(17(20)21)7-14(24-15)16(18)19/h4-8H,1-3H3,(H3,18,19).
What are the key properties of 7-(3,4-dimethoxyphenyl)-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboximidamide?
7-(3,4-dimethoxyphenyl)-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboximidamide has a molecular weight of 343.41 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dimethoxyphenyl)-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboximidamide is sourced from PubChem (CID 154670994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).