7-(2-fluoro-4-nitrosophenoxy)-N-[2-(methylamino)ethyl]thieno[3,2-b]pyridine-2-carboxamide

C17H15FN4O3S — CID 89033137

IUPAC7-(2-fluoro-4-nitrosophenoxy)-N-[2-(methylamino)ethyl]thieno[3,2-b]pyridine-2-carboxamide
SMILESCNCCNC(=O)c1cc2nccc(Oc3ccc(N=O)cc3F)c2s1
InChIInChI=1S/C17H15FN4O3S/c1-19-6-7-21-17(23)15-9-12-16(26-15)14(4-5-20-12)25-13-3-2-10(22-24)8-11(13)18/h2-5,8-9,19H,6-7H2,1H3,(H,21,23)
InChIKeyWDKMMJBBDUMUIW-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.57
Rot. Bonds7

About 7-(2-fluoro-4-nitrosophenoxy)-N-[2-(methylamino)ethyl]thieno[3,2-b]pyridine-2-carboxamide

7-(2-fluoro-4-nitrosophenoxy)-N-[2-(methylamino)ethyl]thieno[3,2-b]pyridine-2-carboxamide (PubChem CID 89033137) has the molecular formula C17H15FN4O3S and a molecular weight of 374.40 g/mol. Its IUPAC name is 7-(2-fluoro-4-nitrosophenoxy)-N-[2-(methylamino)ethyl]thieno[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name7-(2-fluoro-4-nitrosophenoxy)-N-[2-(methylamino)ethyl]thieno[3,2-b]pyridine-2-carboxamide
PubChem CID89033137
Molecular FormulaC17H15FN4O3S
Molecular Weight374.40 g/mol
Exact Mass374.08
IUPAC Name7-(2-fluoro-4-nitrosophenoxy)-N-[2-(methylamino)ethyl]thieno[3,2-b]pyridine-2-carboxamide
SMILESCNCCNC(=O)c1cc2nccc(Oc3ccc(N=O)cc3F)c2s1
InChIInChI=1S/C17H15FN4O3S/c1-19-6-7-21-17(23)15-9-12-16(26-15)14(4-5-20-12)25-13-3-2-10(22-24)8-11(13)18/h2-5,8-9,19H,6-7H2,1H3,(H,21,23)
InChIKeyWDKMMJBBDUMUIW-UHFFFAOYSA-N
XLogP3.57
TPSA92.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-(4-amino-2-fluorophenoxy)-N,N',N'-trimethylthieno[3,2-b]pyridine-2-carbohydrazide
CID 58790202
N-[[6-[7-(2-fluoro-4-nitrosophenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-2-methoxyethanamine
CID 88576713
6-[7-(2-fluoro-4-nitrosophenoxy)thieno[3,2-b]pyridin-2-yl]pyridine-3-carbaldehyde
CID 89033105
2-chloro-N-[[4-[7-(2-fluoro-4-nitrosophenoxy)thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-methylethanamine
CID 88584050
[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 58474542
7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine-2-carboxylic acid
CID 59424536
7-(2-fluoro-4-nitrophenoxy)-N,N',N'-trimethylthieno[3,2-b]pyridine-2-carbohydrazide
CID 58790384
ethyl 4-[2-[[7-[3-fluoro-4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]ethyl]piperazine-1-carboxylate
CID 86290663
CID 123729735
CID 123729735
3-[[7-[4-[[5-(aminomethyl)-2-fluorophenyl]carbamoylamino]-3-fluorophenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid
CID 150628749
[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone
CID 59424552
N-[3-fluoro-4-[2-[C-propan-2-yl-N-[(Z)-prop-1-enyl]carbonimidoyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-oxobutanamide
CID 126589664

Frequently Asked Questions

What is the IUPAC name of 7-(2-fluoro-4-nitrosophenoxy)-N-[2-(methylamino)ethyl]thieno[3,2-b]pyridine-2-carboxamide?
The IUPAC name of 7-(2-fluoro-4-nitrosophenoxy)-N-[2-(methylamino)ethyl]thieno[3,2-b]pyridine-2-carboxamide (CID 89033137) is 7-(2-fluoro-4-nitrosophenoxy)-N-[2-(methylamino)ethyl]thieno[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for 7-(2-fluoro-4-nitrosophenoxy)-N-[2-(methylamino)ethyl]thieno[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for 7-(2-fluoro-4-nitrosophenoxy)-N-[2-(methylamino)ethyl]thieno[3,2-b]pyridine-2-carboxamide is CNCCNC(=O)c1cc2nccc(Oc3ccc(N=O)cc3F)c2s1.
What is the InChIKey of 7-(2-fluoro-4-nitrosophenoxy)-N-[2-(methylamino)ethyl]thieno[3,2-b]pyridine-2-carboxamide?
The InChIKey is WDKMMJBBDUMUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O3S/c1-19-6-7-21-17(23)15-9-12-16(26-15)14(4-5-20-12)25-13-3-2-10(22-24)8-11(13)18/h2-5,8-9,19H,6-7H2,1H3,(H,21,23).
What are the key properties of 7-(2-fluoro-4-nitrosophenoxy)-N-[2-(methylamino)ethyl]thieno[3,2-b]pyridine-2-carboxamide?
7-(2-fluoro-4-nitrosophenoxy)-N-[2-(methylamino)ethyl]thieno[3,2-b]pyridine-2-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluoro-4-nitrosophenoxy)-N-[2-(methylamino)ethyl]thieno[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 89033137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).