N-cyclopentyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;N-ethyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;N-methyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-N-propan-2-ylbenzamide

C83H104N20O8 — CID 157234068

About N-cyclopentyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;N-ethyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;N-methyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-N-propan-2-ylbenzamide

N-cyclopentyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;N-ethyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;N-methyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-N-propan-2-ylbenzamide (PubChem CID 157234068) has the molecular formula C83H104N20O8 and a molecular weight of 1509.88 g/mol. Its IUPAC name is N-cyclopentyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;N-ethyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;N-methyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-N-propan-2-ylbenzamide.

Molecular Properties

• Compound Name: N-cyclopentyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;N-ethyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;N-methyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-N-propan-2-ylbenzamide
• PubChem CID: 157234068
• Molecular Formula: C83H104N20O8
• Molecular Weight: 1509.88 g/mol
• Exact Mass: 1508.83
• IUPAC Name: N-cyclopentyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;N-ethyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;N-methyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-N-propan-2-ylbenzamide
• SMILES: CCC(CC)N1C(=O)Cc2cnc(Nc3ccc(C(=O)NC(C)C)cc3)nc21.CCC(CC)N1C(=O)Cc2cnc(Nc3ccc(C(=O)NC)cc3)nc21.CCC(CC)N1C(=O)Cc2cnc(Nc3ccc(C(=O)NC4CCCC4)cc3)nc21.CCNC(=O)c1ccc(Nc2ncc3c(n2)N(C(CC)CC)C(=O)C3)cc1
• InChI: InChI=1S/C23H29N5O2.C21H27N5O2.C20H25N5O2.C19H23N5O2/c1-3-19(4-2)28-20(29)13-16-14-24-23(27-21(16)28)26-18-11-9-15(10-12-18)22(30)25-17-7-5-6-8-17;1-5-17(6-2)26-18(27)11-15-12-22-21(25-19(15)26)24-16-9-7-14(8-10-16)20(28)23-13(3)4;1-4-16(5-2)25-17(26)11-14-12-22-20(24-18(14)25)23-15-9-7-13(8-10-15)19(27)21-6-3;1-4-15(5-2)24-16(25)10-13-11-21-19(23-17(13)24)22-14-8-6-12(7-9-14)18(26)20-3/h9-12,14,17,19H,3-8,13H2,1-2H3,(H,25,30)(H,24,26,27);7-10,12-13,17H,5-6,11H2,1-4H3,(H,23,28)(H,22,24,25);7-10,12,16H,4-6,11H2,1-3H3,(H,21,27)(H,22,23,24);6-9,11,15H,4-5,10H2,1-3H3,(H,20,26)(H,21,22,23)
• InChIKey: AUKXTUDMXZFYFN-UHFFFAOYSA-N
• XLogP: 13.11
• TPSA: 348.88 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 27
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1509.88
LogP ≤ 5	13.11
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;N-ethyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;N-methyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-N-propan-2-ylbenzamide?

The IUPAC name of N-cyclopentyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;N-ethyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;N-methyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-N-propan-2-ylbenzamide (CID 157234068) is N-cyclopentyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;N-ethyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;N-methyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-N-propan-2-ylbenzamide.

What is the SMILES notation for N-cyclopentyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;N-ethyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;N-methyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-N-propan-2-ylbenzamide?

The canonical SMILES for N-cyclopentyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;N-ethyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;N-methyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-N-propan-2-ylbenzamide is CCC(CC)N1C(=O)Cc2cnc(Nc3ccc(C(=O)NC(C)C)cc3)nc21.CCC(CC)N1C(=O)Cc2cnc(Nc3ccc(C(=O)NC)cc3)nc21.CCC(CC)N1C(=O)Cc2cnc(Nc3ccc(C(=O)NC4CCCC4)cc3)nc21.CCNC(=O)c1ccc(Nc2ncc3c(n2)N(C(CC)CC)C(=O)C3)cc1.

What is the InChIKey of N-cyclopentyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;N-ethyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;N-methyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-N-propan-2-ylbenzamide?

The InChIKey is AUKXTUDMXZFYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2.C21H27N5O2.C20H25N5O2.C19H23N5O2/c1-3-19(4-2)28-20(29)13-16-14-24-23(27-21(16)28)26-18-11-9-15(10-12-18)22(30)25-17-7-5-6-8-17;1-5-17(6-2)26-18(27)11-15-12-22-21(25-19(15)26)24-16-9-7-14(8-10-16)20(28)23-13(3)4;1-4-16(5-2)25-17(26)11-14-12-22-20(24-18(14)25)23-15-9-7-13(8-10-15)19(27)21-6-3;1-4-15(5-2)24-16(25)10-13-11-21-19(23-17(13)24)22-14-8-6-12(7-9-14)18(26)20-3/h9-12,14,17,19H,3-8,13H2,1-2H3,(H,25,30)(H,24,26,27);7-10,12-13,17H,5-6,11H2,1-4H3,(H,23,28)(H,22,24,25);7-10,12,16H,4-6,11H2,1-3H3,(H,21,27)(H,22,23,24);6-9,11,15H,4-5,10H2,1-3H3,(H,20,26)(H,21,22,23).

What are the key properties of N-cyclopentyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;N-ethyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;N-methyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-N-propan-2-ylbenzamide?

N-cyclopentyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;N-ethyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;N-methyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-N-propan-2-ylbenzamide has a molecular weight of 1509.88 g/mol, XLogP of 13.11, 27 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;N-ethyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;N-methyl-4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 157234068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).