3-amino-2-[ethyl(phenyl)carbamoyl]-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid

C17H15N3O4S — CID 90866364

IUPAC3-amino-2-[ethyl(phenyl)carbamoyl]-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid
SMILESCCN(C(=O)c1sc2[nH]c(=O)c(C(=O)O)cc2c1N)c1ccccc1
InChIInChI=1S/C17H15N3O4S/c1-2-20(9-6-4-3-5-7-9)16(22)13-12(18)10-8-11(17(23)24)14(21)19-15(10)25-13/h3-8H,2,18H2,1H3,(H,19,21)(H,23,24)
InChIKeyRCQBFUMVVICYMN-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.54
Rot. Bonds4

About 3-amino-2-[ethyl(phenyl)carbamoyl]-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid

3-amino-2-[ethyl(phenyl)carbamoyl]-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid (PubChem CID 90866364) has the molecular formula C17H15N3O4S and a molecular weight of 357.39 g/mol. Its IUPAC name is 3-amino-2-[ethyl(phenyl)carbamoyl]-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3-amino-2-[ethyl(phenyl)carbamoyl]-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid
PubChem CID90866364
Molecular FormulaC17H15N3O4S
Molecular Weight357.39 g/mol
Exact Mass357.08
IUPAC Name3-amino-2-[ethyl(phenyl)carbamoyl]-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid
SMILESCCN(C(=O)c1sc2[nH]c(=O)c(C(=O)O)cc2c1N)c1ccccc1
InChIInChI=1S/C17H15N3O4S/c1-2-20(9-6-4-3-5-7-9)16(22)13-12(18)10-8-11(17(23)24)14(21)19-15(10)25-13/h3-8H,2,18H2,1H3,(H,19,21)(H,23,24)
InChIKeyRCQBFUMVVICYMN-UHFFFAOYSA-N
XLogP2.54
TPSA116.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-2-benzoyl-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid
CID 950368
3-amino-2-(4-methylbenzoyl)-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid
CID 756804
N-ethyl-2-methyl-6-oxo-N-phenyl-1H-pyrimidine-5-carboxamide
CID 110857948
4-amino-N-ethyl-N-phenyl-1H-pyrrole-2-carboxamide
CID 43642182
N-ethyl-3,5-dimethyl-N-phenylbenzamide
CID 134028664
3-amino-5-ethoxy-N-ethyl-N-phenylbenzamide
CID 81094810
N-ethyl-N,3-diphenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 11302447
2-amino-N-ethyl-4-methoxy-N-phenylbenzamide
CID 115412453
N-(3-aminophenyl)-N-ethylbenzamide
CID 63229786
4-[ethyl(phenyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730043
4-amino-5-cyclopropyl-N-ethyl-N-phenyl-1H-pyrazole-3-carboxamide
CID 62077121
N-ethyl-N-(4-methoxyphenyl)-2-oxo-1H-quinoline-3-carboxamide
CID 142731840

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[ethyl(phenyl)carbamoyl]-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid?
The IUPAC name of 3-amino-2-[ethyl(phenyl)carbamoyl]-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid (CID 90866364) is 3-amino-2-[ethyl(phenyl)carbamoyl]-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 3-amino-2-[ethyl(phenyl)carbamoyl]-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid?
The canonical SMILES for 3-amino-2-[ethyl(phenyl)carbamoyl]-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid is CCN(C(=O)c1sc2[nH]c(=O)c(C(=O)O)cc2c1N)c1ccccc1.
What is the InChIKey of 3-amino-2-[ethyl(phenyl)carbamoyl]-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid?
The InChIKey is RCQBFUMVVICYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4S/c1-2-20(9-6-4-3-5-7-9)16(22)13-12(18)10-8-11(17(23)24)14(21)19-15(10)25-13/h3-8H,2,18H2,1H3,(H,19,21)(H,23,24).
What are the key properties of 3-amino-2-[ethyl(phenyl)carbamoyl]-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid?
3-amino-2-[ethyl(phenyl)carbamoyl]-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid has a molecular weight of 357.39 g/mol, XLogP of 2.54, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[ethyl(phenyl)carbamoyl]-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 90866364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).