N-(2-aminooxy-5-chlorophenyl)-5-(2-hydroxyethylamino)thieno[3,2-b]pyridine-3-carboxamide

C16H15ClN4O3S — CID 140929273

IUPACN-(2-aminooxy-5-chlorophenyl)-5-(2-hydroxyethylamino)thieno[3,2-b]pyridine-3-carboxamide
SMILESNOc1ccc(Cl)cc1NC(=O)c1csc2ccc(NCCO)nc12
InChIInChI=1S/C16H15ClN4O3S/c17-9-1-2-12(24-18)11(7-9)20-16(23)10-8-25-13-3-4-14(19-5-6-22)21-15(10)13/h1-4,7-8,22H,5-6,18H2,(H,19,21)(H,20,23)
InChIKeyJLTQLCHWCCUFKA-UHFFFAOYSA-N
MW378.84 g/mol
LogP2.86
Rot. Bonds6

About N-(2-aminooxy-5-chlorophenyl)-5-(2-hydroxyethylamino)thieno[3,2-b]pyridine-3-carboxamide

N-(2-aminooxy-5-chlorophenyl)-5-(2-hydroxyethylamino)thieno[3,2-b]pyridine-3-carboxamide (PubChem CID 140929273) has the molecular formula C16H15ClN4O3S and a molecular weight of 378.84 g/mol. Its IUPAC name is N-(2-aminooxy-5-chlorophenyl)-5-(2-hydroxyethylamino)thieno[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminooxy-5-chlorophenyl)-5-(2-hydroxyethylamino)thieno[3,2-b]pyridine-3-carboxamide
PubChem CID140929273
Molecular FormulaC16H15ClN4O3S
Molecular Weight378.84 g/mol
Exact Mass378.06
IUPAC NameN-(2-aminooxy-5-chlorophenyl)-5-(2-hydroxyethylamino)thieno[3,2-b]pyridine-3-carboxamide
SMILESNOc1ccc(Cl)cc1NC(=O)c1csc2ccc(NCCO)nc12
InChIInChI=1S/C16H15ClN4O3S/c17-9-1-2-12(24-18)11(7-9)20-16(23)10-8-25-13-3-4-14(19-5-6-22)21-15(10)13/h1-4,7-8,22H,5-6,18H2,(H,19,21)(H,20,23)
InChIKeyJLTQLCHWCCUFKA-UHFFFAOYSA-N
XLogP2.86
TPSA109.50 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.84
LogP ≤ 52.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminoethylamino)-N-(5-chloro-2-methoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide
CID 66664716
N-(5-chloro-2-cyclohexyloxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide
CID 66665366
3-chloro-N-(5-chloro-2-methylphenyl)-6-(ethylamino)pyridine-2-carboxamide
CID 62185558
6-(butylamino)-N-(5-chloro-2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109361667
N-(2,5-dichlorophenyl)-6-(propylamino)pyridine-2-carboxamide
CID 62240936
5-amino-N-(5-chloro-2-ethoxyphenyl)-2-methylbenzamide
CID 61290409
3-chloro-N-(4-chloro-2-iodophenyl)-6-(ethylamino)pyridine-2-carboxamide
CID 107631458
N-(5-chloro-2-methoxyphenyl)-2-methyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109371506
2-(3-aminopropylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide
CID 58056089
N-(5-chloro-2-piperidin-4-yloxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide;2,2,2-trifluoroacetic acid
CID 66664971
5-chloro-N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 43322612
2,4-dichloro-N-(5-chloro-2-ethoxyphenyl)benzamide
CID 4779142

Frequently Asked Questions

What is the IUPAC name of N-(2-aminooxy-5-chlorophenyl)-5-(2-hydroxyethylamino)thieno[3,2-b]pyridine-3-carboxamide?
The IUPAC name of N-(2-aminooxy-5-chlorophenyl)-5-(2-hydroxyethylamino)thieno[3,2-b]pyridine-3-carboxamide (CID 140929273) is N-(2-aminooxy-5-chlorophenyl)-5-(2-hydroxyethylamino)thieno[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-aminooxy-5-chlorophenyl)-5-(2-hydroxyethylamino)thieno[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for N-(2-aminooxy-5-chlorophenyl)-5-(2-hydroxyethylamino)thieno[3,2-b]pyridine-3-carboxamide is NOc1ccc(Cl)cc1NC(=O)c1csc2ccc(NCCO)nc12.
What is the InChIKey of N-(2-aminooxy-5-chlorophenyl)-5-(2-hydroxyethylamino)thieno[3,2-b]pyridine-3-carboxamide?
The InChIKey is JLTQLCHWCCUFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O3S/c17-9-1-2-12(24-18)11(7-9)20-16(23)10-8-25-13-3-4-14(19-5-6-22)21-15(10)13/h1-4,7-8,22H,5-6,18H2,(H,19,21)(H,20,23).
What are the key properties of N-(2-aminooxy-5-chlorophenyl)-5-(2-hydroxyethylamino)thieno[3,2-b]pyridine-3-carboxamide?
N-(2-aminooxy-5-chlorophenyl)-5-(2-hydroxyethylamino)thieno[3,2-b]pyridine-3-carboxamide has a molecular weight of 378.84 g/mol, XLogP of 2.86, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminooxy-5-chlorophenyl)-5-(2-hydroxyethylamino)thieno[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 140929273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).