2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;methane;3-(6-methyl-3-pyridinyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-[(2-oxo-1H-pyridin-4-yl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide

C62H53N15O5S3 — CID 160561861

About 2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;methane;3-(6-methyl-3-pyridinyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-[(2-oxo-1H-pyridin-4-yl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide

2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;methane;3-(6-methyl-3-pyridinyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-[(2-oxo-1H-pyridin-4-yl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide (PubChem CID 160561861) has the molecular formula C62H53N15O5S3 and a molecular weight of 1184.41 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;methane;3-(6-methyl-3-pyridinyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-[(2-oxo-1H-pyridin-4-yl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide.

Molecular Properties

• Compound Name: 2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;methane;3-(6-methyl-3-pyridinyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-[(2-oxo-1H-pyridin-4-yl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide
• PubChem CID: 160561861
• Molecular Formula: C62H53N15O5S3
• Molecular Weight: 1184.41 g/mol
• Exact Mass: 1183.35
• IUPAC Name: 2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;methane;3-(6-methyl-3-pyridinyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-[(2-oxo-1H-pyridin-4-yl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide
• SMILES: C.CC(C)(C(=O)Nc1nc(-c2ccccn2)nc2sccc12)c1ccc(C#N)cc1.Cc1ccc(CCC(=O)Nc2nc(-c3ccccn3)nc3sccc23)cn1.O=C(COCc1cc[nH]c(=O)c1)Nc1nc(-c2ccccn2)nc2sccc12
• InChI: InChI=1S/C22H17N5OS.C20H17N5OS.C19H15N5O3S.CH4/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;1-13-5-6-14(12-22-13)7-8-17(26)23-18-15-9-11-27-20(15)25-19(24-18)16-4-2-3-10-21-16;25-15-9-12(4-7-21-15)10-27-11-16(26)22-17-13-5-8-28-19(13)24-18(23-17)14-3-1-2-6-20-14;/h3-12H,1-2H3,(H,25,26,27,28);2-6,9-12H,7-8H2,1H3,(H,23,24,25,26);1-9H,10-11H2,(H,21,25)(H,22,23,24,26);1H4
• InChIKey: QZKNENMOKXLLOH-UHFFFAOYSA-N
• XLogP: 11.80
• TPSA: 282.08 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 15
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1184.41
LogP ≤ 5	11.80
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

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;methane;3-(6-methyl-3-pyridinyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-[(2-oxo-1H-pyridin-4-yl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide?

The IUPAC name of 2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;methane;3-(6-methyl-3-pyridinyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-[(2-oxo-1H-pyridin-4-yl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide (CID 160561861) is 2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;methane;3-(6-methyl-3-pyridinyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-[(2-oxo-1H-pyridin-4-yl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide.

What is the SMILES notation for 2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;methane;3-(6-methyl-3-pyridinyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-[(2-oxo-1H-pyridin-4-yl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide?

The canonical SMILES for 2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;methane;3-(6-methyl-3-pyridinyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-[(2-oxo-1H-pyridin-4-yl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide is C.CC(C)(C(=O)Nc1nc(-c2ccccn2)nc2sccc12)c1ccc(C#N)cc1.Cc1ccc(CCC(=O)Nc2nc(-c3ccccn3)nc3sccc23)cn1.O=C(COCc1cc[nH]c(=O)c1)Nc1nc(-c2ccccn2)nc2sccc12.

What is the InChIKey of 2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;methane;3-(6-methyl-3-pyridinyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-[(2-oxo-1H-pyridin-4-yl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide?

The InChIKey is QZKNENMOKXLLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5OS.C20H17N5OS.C19H15N5O3S.CH4/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;1-13-5-6-14(12-22-13)7-8-17(26)23-18-15-9-11-27-20(15)25-19(24-18)16-4-2-3-10-21-16;25-15-9-12(4-7-21-15)10-27-11-16(26)22-17-13-5-8-28-19(13)24-18(23-17)14-3-1-2-6-20-14;/h3-12H,1-2H3,(H,25,26,27,28);2-6,9-12H,7-8H2,1H3,(H,23,24,25,26);1-9H,10-11H2,(H,21,25)(H,22,23,24,26);1H4.

What are the key properties of 2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;methane;3-(6-methyl-3-pyridinyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-[(2-oxo-1H-pyridin-4-yl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide?

2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;methane;3-(6-methyl-3-pyridinyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-[(2-oxo-1H-pyridin-4-yl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide has a molecular weight of 1184.41 g/mol, XLogP of 11.80, 15 rotatable bonds, 4 hydrogen bond donors, and 19 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;methane;3-(6-methyl-3-pyridinyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-[(2-oxo-1H-pyridin-4-yl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide is sourced from PubChem (CID 160561861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).