1-(5-pyridin-4-ylthieno[3,2-b]pyridin-7-yl)piperidine-4-carboxamide;hydrochloride

C18H19ClN4OS — CID 70118258

IUPAC1-(5-pyridin-4-ylthieno[3,2-b]pyridin-7-yl)piperidine-4-carboxamide;hydrochloride
SMILESCl.NC(=O)C1CCN(c2cc(-c3ccncc3)nc3ccsc23)CC1
InChIInChI=1S/C18H18N4OS.ClH/c19-18(23)13-3-8-22(9-4-13)16-11-15(12-1-6-20-7-2-12)21-14-5-10-24-17(14)16;/h1-2,5-7,10-11,13H,3-4,8-9H2,(H2,19,23);1H
InChIKeyGVLXMIGOYYTCSL-UHFFFAOYSA-N
MW374.90 g/mol
LogP3.48
Rot. Bonds3

About 1-(5-pyridin-4-ylthieno[3,2-b]pyridin-7-yl)piperidine-4-carboxamide;hydrochloride

1-(5-pyridin-4-ylthieno[3,2-b]pyridin-7-yl)piperidine-4-carboxamide;hydrochloride (PubChem CID 70118258) has the molecular formula C18H19ClN4OS and a molecular weight of 374.90 g/mol. Its IUPAC name is 1-(5-pyridin-4-ylthieno[3,2-b]pyridin-7-yl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(5-pyridin-4-ylthieno[3,2-b]pyridin-7-yl)piperidine-4-carboxamide;hydrochloride
PubChem CID70118258
Molecular FormulaC18H19ClN4OS
Molecular Weight374.90 g/mol
Exact Mass374.10
IUPAC Name1-(5-pyridin-4-ylthieno[3,2-b]pyridin-7-yl)piperidine-4-carboxamide;hydrochloride
SMILESCl.NC(=O)C1CCN(c2cc(-c3ccncc3)nc3ccsc23)CC1
InChIInChI=1S/C18H18N4OS.ClH/c19-18(23)13-3-8-22(9-4-13)16-11-15(12-1-6-20-7-2-12)21-14-5-10-24-17(14)16;/h1-2,5-7,10-11,13H,3-4,8-9H2,(H2,19,23);1H
InChIKeyGVLXMIGOYYTCSL-UHFFFAOYSA-N
XLogP3.48
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.90
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-pyridin-4-ylthieno[3,2-b]pyridin-7-yl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-(5-pyridin-4-ylthieno[3,2-b]pyridin-7-yl)piperidine-4-carboxamide;hydrochloride (CID 70118258) is 1-(5-pyridin-4-ylthieno[3,2-b]pyridin-7-yl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-(5-pyridin-4-ylthieno[3,2-b]pyridin-7-yl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-(5-pyridin-4-ylthieno[3,2-b]pyridin-7-yl)piperidine-4-carboxamide;hydrochloride is Cl.NC(=O)C1CCN(c2cc(-c3ccncc3)nc3ccsc23)CC1.
What is the InChIKey of 1-(5-pyridin-4-ylthieno[3,2-b]pyridin-7-yl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is GVLXMIGOYYTCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS.ClH/c19-18(23)13-3-8-22(9-4-13)16-11-15(12-1-6-20-7-2-12)21-14-5-10-24-17(14)16;/h1-2,5-7,10-11,13H,3-4,8-9H2,(H2,19,23);1H.
What are the key properties of 1-(5-pyridin-4-ylthieno[3,2-b]pyridin-7-yl)piperidine-4-carboxamide;hydrochloride?
1-(5-pyridin-4-ylthieno[3,2-b]pyridin-7-yl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 374.90 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-pyridin-4-ylthieno[3,2-b]pyridin-7-yl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 70118258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).