4-tert-butyl-N-[5-fluoro-2-methyl-3-[1-methyl-5-[[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]benzamide

C38H45FN6O3 — CID 24901370

About 4-tert-butyl-N-[5-fluoro-2-methyl-3-[1-methyl-5-[[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]benzamide

4-tert-butyl-N-[5-fluoro-2-methyl-3-[1-methyl-5-[[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]benzamide (PubChem CID 24901370) has the molecular formula C38H45FN6O3 and a molecular weight of 652.82 g/mol. Its IUPAC name is 4-tert-butyl-N-[5-fluoro-2-methyl-3-[1-methyl-5-[[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]benzamide.

Molecular Properties

• Compound Name: 4-tert-butyl-N-[5-fluoro-2-methyl-3-[1-methyl-5-[[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]benzamide
• PubChem CID: 24901370
• Molecular Formula: C38H45FN6O3
• Molecular Weight: 652.82 g/mol
• Exact Mass: 652.35
• IUPAC Name: 4-tert-butyl-N-[5-fluoro-2-methyl-3-[1-methyl-5-[[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]benzamide
• SMILES: Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cc(F)cc1-c1cc(Nc2ccc(N3CCC(N4CCOCC4)CC3)cn2)c(=O)n(C)c1
• InChI: InChI=1S/C38H45FN6O3/c1-25-32(21-29(39)22-33(25)42-36(46)26-6-8-28(9-7-26)38(2,3)4)27-20-34(37(47)43(5)24-27)41-35-11-10-31(23-40-35)44-14-12-30(13-15-44)45-16-18-48-19-17-45/h6-11,20-24,30H,12-19H2,1-5H3,(H,40,41)(H,42,46)
• InChIKey: WVVRWHGANZIFNH-UHFFFAOYSA-N
• XLogP: 6.49
• TPSA: 91.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	652.82
LogP ≤ 5	6.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[5-fluoro-2-methyl-3-[1-methyl-5-[[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]benzamide?

The IUPAC name of 4-tert-butyl-N-[5-fluoro-2-methyl-3-[1-methyl-5-[[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]benzamide (CID 24901370) is 4-tert-butyl-N-[5-fluoro-2-methyl-3-[1-methyl-5-[[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]benzamide.

What is the SMILES notation for 4-tert-butyl-N-[5-fluoro-2-methyl-3-[1-methyl-5-[[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]benzamide?

The canonical SMILES for 4-tert-butyl-N-[5-fluoro-2-methyl-3-[1-methyl-5-[[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]benzamide is Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cc(F)cc1-c1cc(Nc2ccc(N3CCC(N4CCOCC4)CC3)cn2)c(=O)n(C)c1.

What is the InChIKey of 4-tert-butyl-N-[5-fluoro-2-methyl-3-[1-methyl-5-[[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]benzamide?

The InChIKey is WVVRWHGANZIFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H45FN6O3/c1-25-32(21-29(39)22-33(25)42-36(46)26-6-8-28(9-7-26)38(2,3)4)27-20-34(37(47)43(5)24-27)41-35-11-10-31(23-40-35)44-14-12-30(13-15-44)45-16-18-48-19-17-45/h6-11,20-24,30H,12-19H2,1-5H3,(H,40,41)(H,42,46).

What are the key properties of 4-tert-butyl-N-[5-fluoro-2-methyl-3-[1-methyl-5-[[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]benzamide?

4-tert-butyl-N-[5-fluoro-2-methyl-3-[1-methyl-5-[[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]benzamide has a molecular weight of 652.82 g/mol, XLogP of 6.49, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-N-[5-fluoro-2-methyl-3-[1-methyl-5-[[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]benzamide is sourced from PubChem (CID 24901370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).