3-amino-N-(5-hydroxypentyl)-N-methylthieno[2,3-c]pyridine-2-carboxamide

C14H19N3O2S — CID 107207347

IUPAC3-amino-N-(5-hydroxypentyl)-N-methylthieno[2,3-c]pyridine-2-carboxamide
SMILESCN(CCCCCO)C(=O)c1sc2cnccc2c1N
InChIInChI=1S/C14H19N3O2S/c1-17(7-3-2-4-8-18)14(19)13-12(15)10-5-6-16-9-11(10)20-13/h5-6,9,18H,2-4,7-8,15H2,1H3
InChIKeyCJCSPQAFFVHYTG-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.11
Rot. Bonds6

About 3-amino-N-(5-hydroxypentyl)-N-methylthieno[2,3-c]pyridine-2-carboxamide

3-amino-N-(5-hydroxypentyl)-N-methylthieno[2,3-c]pyridine-2-carboxamide (PubChem CID 107207347) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 3-amino-N-(5-hydroxypentyl)-N-methylthieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(5-hydroxypentyl)-N-methylthieno[2,3-c]pyridine-2-carboxamide
PubChem CID107207347
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name3-amino-N-(5-hydroxypentyl)-N-methylthieno[2,3-c]pyridine-2-carboxamide
SMILESCN(CCCCCO)C(=O)c1sc2cnccc2c1N
InChIInChI=1S/C14H19N3O2S/c1-17(7-3-2-4-8-18)14(19)13-12(15)10-5-6-16-9-11(10)20-13/h5-6,9,18H,2-4,7-8,15H2,1H3
InChIKeyCJCSPQAFFVHYTG-UHFFFAOYSA-N
XLogP2.11
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[3-(dimethylamino)propyl]-N-methylthieno[2,3-c]pyridine-2-carboxamide
CID 114289351
3-amino-N-methyl-N-[3-(methylamino)propyl]thieno[2,3-c]pyridine-2-carboxamide
CID 114289424
3-amino-6-bromo-N-(5-hydroxypentyl)-N-methyl-1-benzothiophene-2-carboxamide
CID 107207352
3-amino-N-methyl-N-pentan-3-ylthieno[2,3-c]pyridine-2-carboxamide
CID 114289192
3-amino-N',N'-dimethylthieno[2,3-c]pyridine-2-carbohydrazide
CID 83024926
1-(3-aminothieno[2,3-c]pyridin-2-yl)butan-1-one
CID 58826843
3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]thieno[2,3-c]pyridine-2-carboxamide
CID 114289239
3-amino-N-[3-(2-hydroxyethoxy)propyl]thieno[2,3-c]pyridine-2-carboxamide
CID 106311389
3-amino-N-(2-methylprop-2-enyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114619385
3-amino-N-(pyridin-3-ylmethyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114289134
3-amino-N-(5-hydroxy-4-methylpentyl)thieno[2,3-c]pyridine-2-carboxamide
CID 106162924
3-amino-N-(3-methylbutyl)thieno[2,3-c]pyridine-2-carboxamide
CID 113269830

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-hydroxypentyl)-N-methylthieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(5-hydroxypentyl)-N-methylthieno[2,3-c]pyridine-2-carboxamide (CID 107207347) is 3-amino-N-(5-hydroxypentyl)-N-methylthieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(5-hydroxypentyl)-N-methylthieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(5-hydroxypentyl)-N-methylthieno[2,3-c]pyridine-2-carboxamide is CN(CCCCCO)C(=O)c1sc2cnccc2c1N.
What is the InChIKey of 3-amino-N-(5-hydroxypentyl)-N-methylthieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is CJCSPQAFFVHYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-17(7-3-2-4-8-18)14(19)13-12(15)10-5-6-16-9-11(10)20-13/h5-6,9,18H,2-4,7-8,15H2,1H3.
What are the key properties of 3-amino-N-(5-hydroxypentyl)-N-methylthieno[2,3-c]pyridine-2-carboxamide?
3-amino-N-(5-hydroxypentyl)-N-methylthieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 293.39 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-hydroxypentyl)-N-methylthieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 107207347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).