3-amino-4-[4-[2-(dimethylamino)-2-oxoethyl]-2-fluorophenoxy]-6-methylthieno[2,3-b]pyridine-2-carboxamide

C19H19FN4O3S — CID 25006332

IUPAC3-amino-4-[4-[2-(dimethylamino)-2-oxoethyl]-2-fluorophenoxy]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(Oc2ccc(CC(=O)N(C)C)cc2F)c2c(N)c(C(N)=O)sc2n1
InChIInChI=1S/C19H19FN4O3S/c1-9-6-13(15-16(21)17(18(22)26)28-19(15)23-9)27-12-5-4-10(7-11(12)20)8-14(25)24(2)3/h4-7H,8,21H2,1-3H3,(H2,22,26)
InChIKeyADGPLTABWXLDEC-UHFFFAOYSA-N
MW402.45 g/mol
LogP2.85
Rot. Bonds5

About 3-amino-4-[4-[2-(dimethylamino)-2-oxoethyl]-2-fluorophenoxy]-6-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-4-[4-[2-(dimethylamino)-2-oxoethyl]-2-fluorophenoxy]-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 25006332) has the molecular formula C19H19FN4O3S and a molecular weight of 402.45 g/mol. Its IUPAC name is 3-amino-4-[4-[2-(dimethylamino)-2-oxoethyl]-2-fluorophenoxy]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-[4-[2-(dimethylamino)-2-oxoethyl]-2-fluorophenoxy]-6-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID25006332
Molecular FormulaC19H19FN4O3S
Molecular Weight402.45 g/mol
Exact Mass402.12
IUPAC Name3-amino-4-[4-[2-(dimethylamino)-2-oxoethyl]-2-fluorophenoxy]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(Oc2ccc(CC(=O)N(C)C)cc2F)c2c(N)c(C(N)=O)sc2n1
InChIInChI=1S/C19H19FN4O3S/c1-9-6-13(15-16(21)17(18(22)26)28-19(15)23-9)27-12-5-4-10(7-11(12)20)8-14(25)24(2)3/h4-7H,8,21H2,1-3H3,(H2,22,26)
InChIKeyADGPLTABWXLDEC-UHFFFAOYSA-N
XLogP2.85
TPSA111.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-amino-4-[4-[2-(dimethylamino)-2-oxoethyl]-2-fluorophenoxy]-6-methylthieno[2,3-b]pyridine-2-carboxamide with MolForge

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Related Compounds

3-amino-4-[2-chloro-4-[4-(dimethylamino)-4-oxobutyl]phenoxy]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 155520791
3-amino-N-[(3,4-dimethoxyphenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 72713211
2-(4-amino-3-methoxyphenyl)-N,N-dimethylacetamide
CID 130276414
2-[4-amino-3-(fluoromethoxy)phenyl]-N,N-dimethylacetamide
CID 130277045
3-amino-4-[2-chloro-4-(2-hydroxyethyl)phenoxy]thieno[2,3-b]pyridine-2-carboxamide
CID 25005242
3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid;hydrochloride
CID 43810775
3-amino-4-(2-chloro-4,5-dimethylphenoxy)thieno[2,3-b]pyridine-2-carboxamide
CID 25004564
3-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 1045586
(3-carbamoylphenyl)methyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 55640832
benzyl 3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate
CID 151760481
2-[4-(aminomethyl)-2-fluorophenoxy]-N,N-dimethylacetamide
CID 107665283
3-amino-4-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylthieno[2,3-b]pyridine-2-carboxylic acid
CID 22269266

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[4-[2-(dimethylamino)-2-oxoethyl]-2-fluorophenoxy]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4-[4-[2-(dimethylamino)-2-oxoethyl]-2-fluorophenoxy]-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 25006332) is 3-amino-4-[4-[2-(dimethylamino)-2-oxoethyl]-2-fluorophenoxy]-6-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4-[4-[2-(dimethylamino)-2-oxoethyl]-2-fluorophenoxy]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4-[4-[2-(dimethylamino)-2-oxoethyl]-2-fluorophenoxy]-6-methylthieno[2,3-b]pyridine-2-carboxamide is Cc1cc(Oc2ccc(CC(=O)N(C)C)cc2F)c2c(N)c(C(N)=O)sc2n1.
What is the InChIKey of 3-amino-4-[4-[2-(dimethylamino)-2-oxoethyl]-2-fluorophenoxy]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is ADGPLTABWXLDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3S/c1-9-6-13(15-16(21)17(18(22)26)28-19(15)23-9)27-12-5-4-10(7-11(12)20)8-14(25)24(2)3/h4-7H,8,21H2,1-3H3,(H2,22,26).
What are the key properties of 3-amino-4-[4-[2-(dimethylamino)-2-oxoethyl]-2-fluorophenoxy]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-4-[4-[2-(dimethylamino)-2-oxoethyl]-2-fluorophenoxy]-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[4-[2-(dimethylamino)-2-oxoethyl]-2-fluorophenoxy]-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 25006332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).