1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

C23H21N5OS — CID 2608227

IUPAC1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)CC1
InChIInChI=1S/C23H21N5OS/c24-20(29)16-9-12-28(13-10-16)22-19-17(15-6-2-1-3-7-15)14-30-23(19)27-21(26-22)18-8-4-5-11-25-18/h1-8,11,14,16H,9-10,12-13H2,(H2,24,29)
InChIKeyYBZUBQFELBLWJT-UHFFFAOYSA-N
MW415.52 g/mol
LogP4.12
Rot. Bonds4

About 1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 2608227) has the molecular formula C23H21N5OS and a molecular weight of 415.52 g/mol. Its IUPAC name is 1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID2608227
Molecular FormulaC23H21N5OS
Molecular Weight415.52 g/mol
Exact Mass415.15
IUPAC Name1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)CC1
InChIInChI=1S/C23H21N5OS/c24-20(29)16-9-12-28(13-10-16)22-19-17(15-6-2-1-3-7-15)14-30-23(19)27-21(26-22)18-8-4-5-11-25-18/h1-8,11,14,16H,9-10,12-13H2,(H2,24,29)
InChIKeyYBZUBQFELBLWJT-UHFFFAOYSA-N
XLogP4.12
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (CID 2608227) is 1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide is NC(=O)C1CCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)CC1.
What is the InChIKey of 1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is YBZUBQFELBLWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5OS/c24-20(29)16-9-12-28(13-10-16)22-19-17(15-6-2-1-3-7-15)14-30-23(19)27-21(26-22)18-8-4-5-11-25-18/h1-8,11,14,16H,9-10,12-13H2,(H2,24,29).
What are the key properties of 1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 415.52 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 2608227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).