2-(oxan-2-ylamino)-6-(pyridin-2-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid

C19H23N3O3S — CID 70008075

IUPAC2-(oxan-2-ylamino)-6-(pyridin-2-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
SMILESO=C(O)c1c(NC2CCCCO2)sc2c1CCN(Cc1ccccn1)C2
InChIInChI=1S/C19H23N3O3S/c23-19(24)17-14-7-9-22(11-13-5-1-3-8-20-13)12-15(14)26-18(17)21-16-6-2-4-10-25-16/h1,3,5,8,16,21H,2,4,6-7,9-12H2,(H,23,24)
InChIKeyWJWGFLSBNCTLAQ-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.34
Rot. Bonds5

About 2-(oxan-2-ylamino)-6-(pyridin-2-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid

2-(oxan-2-ylamino)-6-(pyridin-2-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid (PubChem CID 70008075) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 2-(oxan-2-ylamino)-6-(pyridin-2-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(oxan-2-ylamino)-6-(pyridin-2-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
PubChem CID70008075
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name2-(oxan-2-ylamino)-6-(pyridin-2-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
SMILESO=C(O)c1c(NC2CCCCO2)sc2c1CCN(Cc1ccccn1)C2
InChIInChI=1S/C19H23N3O3S/c23-19(24)17-14-7-9-22(11-13-5-1-3-8-20-13)12-15(14)26-18(17)21-16-6-2-4-10-25-16/h1,3,5,8,16,21H,2,4,6-7,9-12H2,(H,23,24)
InChIKeyWJWGFLSBNCTLAQ-UHFFFAOYSA-N
XLogP3.34
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-ylamino)-6-(pyridin-2-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 2-(oxan-2-ylamino)-6-(pyridin-2-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid (CID 70008075) is 2-(oxan-2-ylamino)-6-(pyridin-2-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(oxan-2-ylamino)-6-(pyridin-2-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(oxan-2-ylamino)-6-(pyridin-2-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid is O=C(O)c1c(NC2CCCCO2)sc2c1CCN(Cc1ccccn1)C2.
What is the InChIKey of 2-(oxan-2-ylamino)-6-(pyridin-2-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid?
The InChIKey is WJWGFLSBNCTLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c23-19(24)17-14-7-9-22(11-13-5-1-3-8-20-13)12-15(14)26-18(17)21-16-6-2-4-10-25-16/h1,3,5,8,16,21H,2,4,6-7,9-12H2,(H,23,24).
What are the key properties of 2-(oxan-2-ylamino)-6-(pyridin-2-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid?
2-(oxan-2-ylamino)-6-(pyridin-2-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid has a molecular weight of 373.48 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-ylamino)-6-(pyridin-2-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 70008075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).