N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxo-1,2-dihydropyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide

C32H30F3N5O4 — CID 134146441

About N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxo-1,2-dihydropyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide

N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxo-1,2-dihydropyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 134146441) has the molecular formula C32H30F3N5O4 and a molecular weight of 605.62 g/mol. Its IUPAC name is N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxo-1,2-dihydropyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

• Compound Name: N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxo-1,2-dihydropyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
• PubChem CID: 134146441
• Molecular Formula: C32H30F3N5O4
• Molecular Weight: 605.62 g/mol
• Exact Mass: 605.22
• IUPAC Name: N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxo-1,2-dihydropyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
• SMILES: CCOc1ccc(N2C(=O)c3cccnc3NC2[C@@H](C)N(Cc2cccnc2)C(=O)Cc2ccc(OC(F)(F)F)cc2)cc1
• InChI: InChI=1S/C32H30F3N5O4/c1-3-43-25-14-10-24(11-15-25)40-30(38-29-27(31(40)42)7-5-17-37-29)21(2)39(20-23-6-4-16-36-19-23)28(41)18-22-8-12-26(13-9-22)44-32(33,34)35/h4-17,19,21,30H,3,18,20H2,1-2H3,(H,37,38)/t21-,30?/m1/s1
• InChIKey: WDKIFBGCGXMKEJ-BPADPFCFSA-N
• XLogP: 5.83
• TPSA: 96.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	605.62
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxo-1,2-dihydropyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide?

The IUPAC name of N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxo-1,2-dihydropyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide (CID 134146441) is N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxo-1,2-dihydropyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide.

What is the SMILES notation for N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxo-1,2-dihydropyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide?

The canonical SMILES for N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxo-1,2-dihydropyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide is CCOc1ccc(N2C(=O)c3cccnc3NC2[C@@H](C)N(Cc2cccnc2)C(=O)Cc2ccc(OC(F)(F)F)cc2)cc1.

What is the InChIKey of N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxo-1,2-dihydropyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide?

The InChIKey is WDKIFBGCGXMKEJ-BPADPFCFSA-N. The full InChI is InChI=1S/C32H30F3N5O4/c1-3-43-25-14-10-24(11-15-25)40-30(38-29-27(31(40)42)7-5-17-37-29)21(2)39(20-23-6-4-16-36-19-23)28(41)18-22-8-12-26(13-9-22)44-32(33,34)35/h4-17,19,21,30H,3,18,20H2,1-2H3,(H,37,38)/t21-,30?/m1/s1.

What are the key properties of N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxo-1,2-dihydropyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide?

N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxo-1,2-dihydropyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 605.62 g/mol, XLogP of 5.83, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxo-1,2-dihydropyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 134146441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).