2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide

C21H15N5OS — CID 137429643

IUPAC2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide
SMILESCC(C(=O)Nc1nc(-c2ccccn2)nc2sccc12)c1ccc(C#N)cc1
InChIInChI=1S/C21H15N5OS/c1-13(15-7-5-14(12-22)6-8-15)20(27)25-18-16-9-11-28-21(16)26-19(24-18)17-4-2-3-10-23-17/h2-11,13H,1H3,(H,24,25,26,27)
InChIKeyCYNVIOOLIVVAAJ-UHFFFAOYSA-N
MW385.45 g/mol
LogP4.37
Rot. Bonds4

About 2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide

2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide (PubChem CID 137429643) has the molecular formula C21H15N5OS and a molecular weight of 385.45 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide.

Molecular Properties

Compound Name2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide
PubChem CID137429643
Molecular FormulaC21H15N5OS
Molecular Weight385.45 g/mol
Exact Mass385.10
IUPAC Name2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide
SMILESCC(C(=O)Nc1nc(-c2ccccn2)nc2sccc12)c1ccc(C#N)cc1
InChIInChI=1S/C21H15N5OS/c1-13(15-7-5-14(12-22)6-8-15)20(27)25-18-16-9-11-28-21(16)26-19(24-18)17-4-2-3-10-23-17/h2-11,13H,1H3,(H,24,25,26,27)
InChIKeyCYNVIOOLIVVAAJ-UHFFFAOYSA-N
XLogP4.37
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide?
The IUPAC name of 2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide (CID 137429643) is 2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide.
What is the SMILES notation for 2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide?
The canonical SMILES for 2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide is CC(C(=O)Nc1nc(-c2ccccn2)nc2sccc12)c1ccc(C#N)cc1.
What is the InChIKey of 2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide?
The InChIKey is CYNVIOOLIVVAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5OS/c1-13(15-7-5-14(12-22)6-8-15)20(27)25-18-16-9-11-28-21(16)26-19(24-18)17-4-2-3-10-23-17/h2-11,13H,1H3,(H,24,25,26,27).
What are the key properties of 2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide?
2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide has a molecular weight of 385.45 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide is sourced from PubChem (CID 137429643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).