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

C22H17N5OS — CID 137429652

IUPAC2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide
SMILESCC(C)(C(=O)Nc1nc(-c2ccccn2)nc2sccc12)c1ccc(C#N)cc1
InChIInChI=1S/C22H17N5OS/c1-22(2,15-8-6-14(13-23)7-9-15)21(28)27-18-16-10-12-29-20(16)26-19(25-18)17-5-3-4-11-24-17/h3-12H,1-2H3,(H,25,26,27,28)
InChIKeyZAEJJVZSKIMLIO-UHFFFAOYSA-N
MW399.48 g/mol
LogP4.54
Rot. Bonds4

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

2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide (PubChem CID 137429652) has the molecular formula C22H17N5OS and a molecular weight of 399.48 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide.

Molecular Properties

Compound Name2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide
PubChem CID137429652
Molecular FormulaC22H17N5OS
Molecular Weight399.48 g/mol
Exact Mass399.12
IUPAC Name2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide
SMILESCC(C)(C(=O)Nc1nc(-c2ccccn2)nc2sccc12)c1ccc(C#N)cc1
InChIInChI=1S/C22H17N5OS/c1-22(2,15-8-6-14(13-23)7-9-15)21(28)27-18-16-10-12-29-20(16)26-19(25-18)17-5-3-4-11-24-17/h3-12H,1-2H3,(H,25,26,27,28)
InChIKeyZAEJJVZSKIMLIO-UHFFFAOYSA-N
XLogP4.54
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide?
The IUPAC name of 2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide (CID 137429652) is 2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide.
What is the SMILES notation for 2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide?
The canonical SMILES for 2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide is CC(C)(C(=O)Nc1nc(-c2ccccn2)nc2sccc12)c1ccc(C#N)cc1.
What is the InChIKey of 2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide?
The InChIKey is ZAEJJVZSKIMLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5OS/c1-22(2,15-8-6-14(13-23)7-9-15)21(28)27-18-16-10-12-29-20(16)26-19(25-18)17-5-3-4-11-24-17/h3-12H,1-2H3,(H,25,26,27,28).
What are the key properties of 2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide?
2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide has a molecular weight of 399.48 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide is sourced from PubChem (CID 137429652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).