N-(3,4-dimethoxyphenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide

C18H18N2O5S — CID 54733567

IUPACN-(3,4-dimethoxyphenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide
SMILESCCn1c(=O)c(C(=O)Nc2ccc(OC)c(OC)c2)c(O)c2sccc21
InChIInChI=1S/C18H18N2O5S/c1-4-20-11-7-8-26-16(11)15(21)14(18(20)23)17(22)19-10-5-6-12(24-2)13(9-10)25-3/h5-9,21H,4H2,1-3H3,(H,19,22)
InChIKeyABDGEXVXQBXWMG-UHFFFAOYSA-N
MW374.42 g/mol
LogP3.06
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide

N-(3,4-dimethoxyphenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide (PubChem CID 54733567) has the molecular formula C18H18N2O5S and a molecular weight of 374.42 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide
PubChem CID54733567
Molecular FormulaC18H18N2O5S
Molecular Weight374.42 g/mol
Exact Mass374.09
IUPAC NameN-(3,4-dimethoxyphenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide
SMILESCCn1c(=O)c(C(=O)Nc2ccc(OC)c(OC)c2)c(O)c2sccc21
InChIInChI=1S/C18H18N2O5S/c1-4-20-11-7-8-26-16(11)15(21)14(18(20)23)17(22)19-10-5-6-12(24-2)13(9-10)25-3/h5-9,21H,4H2,1-3H3,(H,19,22)
InChIKeyABDGEXVXQBXWMG-UHFFFAOYSA-N
XLogP3.06
TPSA89.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,4-difluorophenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide
CID 54734497
4-ethyl-7-hydroxy-N-(3-methylphenyl)-5-oxothieno[3,2-b]pyridine-6-carboxamide
CID 54734490
N-(3-chlorophenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide
CID 54734487
N-(3,4-dimethoxyphenyl)-2-(3-ethyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)acetamide
CID 6486215
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide
CID 54734505
N-(3,4-dimethoxyphenyl)-5-ethyl-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide
CID 53194302
1-ethyl-4-hydroxy-N-(3-methoxyphenyl)-2-oxoquinoline-3-carboxamide
CID 54679068
N-(3-fluorophenyl)-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carboxamide
CID 54734443
N-(3,4-dimethoxyphenyl)-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619926
methyl 4-[(1-ethyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoate
CID 54679619
N-(3,4-dimethoxyphenyl)-4-[8-(3-methoxypropyl)-7-oxo-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-12-yl]butanamide
CID 20904597
N-(3,4-dimethoxyphenyl)-4-thiophen-2-ylbenzamide
CID 1483506

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide (CID 54733567) is N-(3,4-dimethoxyphenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide is CCn1c(=O)c(C(=O)Nc2ccc(OC)c(OC)c2)c(O)c2sccc21.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide?
The InChIKey is ABDGEXVXQBXWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5S/c1-4-20-11-7-8-26-16(11)15(21)14(18(20)23)17(22)19-10-5-6-12(24-2)13(9-10)25-3/h5-9,21H,4H2,1-3H3,(H,19,22).
What are the key properties of N-(3,4-dimethoxyphenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide?
N-(3,4-dimethoxyphenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide has a molecular weight of 374.42 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 54733567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).