N-(2,3-dihydroxypropoxy)-2-(2-fluoro-4-methylanilino)-5-methylthieno[2,3-b]pyridine-3-carboxamide

C19H20FN3O4S — CID 142476290

IUPACN-(2,3-dihydroxypropoxy)-2-(2-fluoro-4-methylanilino)-5-methylthieno[2,3-b]pyridine-3-carboxamide
SMILESCc1ccc(Nc2sc3ncc(C)cc3c2C(=O)NOCC(O)CO)c(F)c1
InChIInChI=1S/C19H20FN3O4S/c1-10-3-4-15(14(20)6-10)22-19-16(17(26)23-27-9-12(25)8-24)13-5-11(2)7-21-18(13)28-19/h3-7,12,22,24-25H,8-9H2,1-2H3,(H,23,26)
InChIKeyZWSBQZOCZYOONC-UHFFFAOYSA-N
MW405.45 g/mol
LogP2.81
Rot. Bonds7

About N-(2,3-dihydroxypropoxy)-2-(2-fluoro-4-methylanilino)-5-methylthieno[2,3-b]pyridine-3-carboxamide

N-(2,3-dihydroxypropoxy)-2-(2-fluoro-4-methylanilino)-5-methylthieno[2,3-b]pyridine-3-carboxamide (PubChem CID 142476290) has the molecular formula C19H20FN3O4S and a molecular weight of 405.45 g/mol. Its IUPAC name is N-(2,3-dihydroxypropoxy)-2-(2-fluoro-4-methylanilino)-5-methylthieno[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropoxy)-2-(2-fluoro-4-methylanilino)-5-methylthieno[2,3-b]pyridine-3-carboxamide
PubChem CID142476290
Molecular FormulaC19H20FN3O4S
Molecular Weight405.45 g/mol
Exact Mass405.12
IUPAC NameN-(2,3-dihydroxypropoxy)-2-(2-fluoro-4-methylanilino)-5-methylthieno[2,3-b]pyridine-3-carboxamide
SMILESCc1ccc(Nc2sc3ncc(C)cc3c2C(=O)NOCC(O)CO)c(F)c1
InChIInChI=1S/C19H20FN3O4S/c1-10-3-4-15(14(20)6-10)22-19-16(17(26)23-27-9-12(25)8-24)13-5-11(2)7-21-18(13)28-19/h3-7,12,22,24-25H,8-9H2,1-2H3,(H,23,26)
InChIKeyZWSBQZOCZYOONC-UHFFFAOYSA-N
XLogP2.81
TPSA103.71 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 52.81
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

ethane;N-ethoxy-2-(2-fluoro-4-methylanilino)-5-methylthieno[2,3-b]pyridine-3-carboxamide
CID 142476271
5-acetyl-N-[(2S)-2,3-dihydroxypropoxy]-2-(2-fluoro-4-methylanilino)-4-propan-2-ylthiophene-3-carboxamide
CID 167133101
N-(2,3-dihydroxypropoxy)-3,4-difluoro-2-(2-fluoro-4-methylanilino)benzamide;ethane
CID 143815087
N-(cyclopropylmethoxy)-2-(2-fluoro-4-methylanilino)-6-methylthieno[2,3-b]pyridine-3-carboxamide
CID 142476310
N-(2,3-dihydroxypropoxy)-4-fluoro-5-(2-fluoro-4-methylanilino)-1,3-benzoxazole-6-carboxamide
CID 123631940
N-(2,3-dihydroxypropoxy)-4,5-difluoro-6-(2-fluoro-4-methylanilino)cyclohexa-1,4-diene-1-carboxamide
CID 91275168
N-(2,3-dihydroxypropoxy)-7-(2-fluoro-4-methylanilino)-6-methyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide;ethane
CID 143806427
4-(2-fluoro-4-methylanilino)-N-[(2S)-2-hydroxypropoxy]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 143922222
6-(2-fluoro-4-methylanilino)-N-(2-hydroxybutoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide
CID 123636689
N-(2,3-dihydroxypropoxy)-3,4-difluoro-2-(2-fluoro-4-methylanilino)-5-[(E)-2-hydroxyethoxyiminomethyl]benzamide
CID 143019240
5-acetyl-N-(2,3-dihydroxypropoxy)-4-fluoro-2-(2-fluoro-4-iodoanilino)-1-methylpyrrole-3-carboxamide
CID 74403119
5-(2-fluoro-4-methylanilino)-N-[(2S)-2-hydroxypropoxy]imidazo[1,5-a]pyrazine-6-carboxamide
CID 129073413

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropoxy)-2-(2-fluoro-4-methylanilino)-5-methylthieno[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-(2,3-dihydroxypropoxy)-2-(2-fluoro-4-methylanilino)-5-methylthieno[2,3-b]pyridine-3-carboxamide (CID 142476290) is N-(2,3-dihydroxypropoxy)-2-(2-fluoro-4-methylanilino)-5-methylthieno[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydroxypropoxy)-2-(2-fluoro-4-methylanilino)-5-methylthieno[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-(2,3-dihydroxypropoxy)-2-(2-fluoro-4-methylanilino)-5-methylthieno[2,3-b]pyridine-3-carboxamide is Cc1ccc(Nc2sc3ncc(C)cc3c2C(=O)NOCC(O)CO)c(F)c1.
What is the InChIKey of N-(2,3-dihydroxypropoxy)-2-(2-fluoro-4-methylanilino)-5-methylthieno[2,3-b]pyridine-3-carboxamide?
The InChIKey is ZWSBQZOCZYOONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O4S/c1-10-3-4-15(14(20)6-10)22-19-16(17(26)23-27-9-12(25)8-24)13-5-11(2)7-21-18(13)28-19/h3-7,12,22,24-25H,8-9H2,1-2H3,(H,23,26).
What are the key properties of N-(2,3-dihydroxypropoxy)-2-(2-fluoro-4-methylanilino)-5-methylthieno[2,3-b]pyridine-3-carboxamide?
N-(2,3-dihydroxypropoxy)-2-(2-fluoro-4-methylanilino)-5-methylthieno[2,3-b]pyridine-3-carboxamide has a molecular weight of 405.45 g/mol, XLogP of 2.81, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropoxy)-2-(2-fluoro-4-methylanilino)-5-methylthieno[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 142476290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).