6-(3,9-diazaspiro[5.5]undecan-3-yl)thieno[2,3-b]pyridine-2-carboxamide

C17H22N4OS — CID 177202580

IUPAC6-(3,9-diazaspiro[5.5]undecan-3-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1cc2ccc(N3CCC4(CCNCC4)CC3)nc2s1
InChIInChI=1S/C17H22N4OS/c18-15(22)13-11-12-1-2-14(20-16(12)23-13)21-9-5-17(6-10-21)3-7-19-8-4-17/h1-2,11,19H,3-10H2,(H2,18,22)
InChIKeyPAGUZEATIZPABH-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.37
Rot. Bonds2

About 6-(3,9-diazaspiro[5.5]undecan-3-yl)thieno[2,3-b]pyridine-2-carboxamide

6-(3,9-diazaspiro[5.5]undecan-3-yl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 177202580) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is 6-(3,9-diazaspiro[5.5]undecan-3-yl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(3,9-diazaspiro[5.5]undecan-3-yl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID177202580
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name6-(3,9-diazaspiro[5.5]undecan-3-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1cc2ccc(N3CCC4(CCNCC4)CC3)nc2s1
InChIInChI=1S/C17H22N4OS/c18-15(22)13-11-12-1-2-14(20-16(12)23-13)21-9-5-17(6-10-21)3-7-19-8-4-17/h1-2,11,19H,3-10H2,(H2,18,22)
InChIKeyPAGUZEATIZPABH-UHFFFAOYSA-N
XLogP2.37
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,9-diazaspiro[5.5]undecan-3-yl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 6-(3,9-diazaspiro[5.5]undecan-3-yl)thieno[2,3-b]pyridine-2-carboxamide (CID 177202580) is 6-(3,9-diazaspiro[5.5]undecan-3-yl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 6-(3,9-diazaspiro[5.5]undecan-3-yl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 6-(3,9-diazaspiro[5.5]undecan-3-yl)thieno[2,3-b]pyridine-2-carboxamide is NC(=O)c1cc2ccc(N3CCC4(CCNCC4)CC3)nc2s1.
What is the InChIKey of 6-(3,9-diazaspiro[5.5]undecan-3-yl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is PAGUZEATIZPABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c18-15(22)13-11-12-1-2-14(20-16(12)23-13)21-9-5-17(6-10-21)3-7-19-8-4-17/h1-2,11,19H,3-10H2,(H2,18,22).
What are the key properties of 6-(3,9-diazaspiro[5.5]undecan-3-yl)thieno[2,3-b]pyridine-2-carboxamide?
6-(3,9-diazaspiro[5.5]undecan-3-yl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 330.46 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,9-diazaspiro[5.5]undecan-3-yl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 177202580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).