N-(3-ethoxyphenyl)-N-[(1R)-2-(4-fluoroanilino)-1-(2-methylphenyl)-2-oxoethyl]pyrazine-2-carboxamide

C28H25FN4O3 — CID 1434805

About N-(3-ethoxyphenyl)-N-[(1R)-2-(4-fluoroanilino)-1-(2-methylphenyl)-2-oxoethyl]pyrazine-2-carboxamide

N-(3-ethoxyphenyl)-N-[(1R)-2-(4-fluoroanilino)-1-(2-methylphenyl)-2-oxoethyl]pyrazine-2-carboxamide (PubChem CID 1434805) has the molecular formula C28H25FN4O3 and a molecular weight of 484.53 g/mol. Its IUPAC name is N-(3-ethoxyphenyl)-N-[(1R)-2-(4-fluoroanilino)-1-(2-methylphenyl)-2-oxoethyl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-(3-ethoxyphenyl)-N-[(1R)-2-(4-fluoroanilino)-1-(2-methylphenyl)-2-oxoethyl]pyrazine-2-carboxamide
• PubChem CID: 1434805
• Molecular Formula: C28H25FN4O3
• Molecular Weight: 484.53 g/mol
• Exact Mass: 484.19
• IUPAC Name: N-(3-ethoxyphenyl)-N-[(1R)-2-(4-fluoroanilino)-1-(2-methylphenyl)-2-oxoethyl]pyrazine-2-carboxamide
• SMILES: CCOc1cccc(N(C(=O)c2cnccn2)[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2C)c1
• InChI: InChI=1S/C28H25FN4O3/c1-3-36-23-9-6-8-22(17-23)33(28(35)25-18-30-15-16-31-25)26(24-10-5-4-7-19(24)2)27(34)32-21-13-11-20(29)12-14-21/h4-18,26H,3H2,1-2H3,(H,32,34)/t26-/m1/s1
• InChIKey: GLRLPACTMRRXSQ-AREMUKBSSA-N
• XLogP: 5.35
• TPSA: 84.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.53
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyphenyl)-N-[(1R)-2-(4-fluoroanilino)-1-(2-methylphenyl)-2-oxoethyl]pyrazine-2-carboxamide?

The IUPAC name of N-(3-ethoxyphenyl)-N-[(1R)-2-(4-fluoroanilino)-1-(2-methylphenyl)-2-oxoethyl]pyrazine-2-carboxamide (CID 1434805) is N-(3-ethoxyphenyl)-N-[(1R)-2-(4-fluoroanilino)-1-(2-methylphenyl)-2-oxoethyl]pyrazine-2-carboxamide.

What is the SMILES notation for N-(3-ethoxyphenyl)-N-[(1R)-2-(4-fluoroanilino)-1-(2-methylphenyl)-2-oxoethyl]pyrazine-2-carboxamide?

The canonical SMILES for N-(3-ethoxyphenyl)-N-[(1R)-2-(4-fluoroanilino)-1-(2-methylphenyl)-2-oxoethyl]pyrazine-2-carboxamide is CCOc1cccc(N(C(=O)c2cnccn2)[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2C)c1.

What is the InChIKey of N-(3-ethoxyphenyl)-N-[(1R)-2-(4-fluoroanilino)-1-(2-methylphenyl)-2-oxoethyl]pyrazine-2-carboxamide?

The InChIKey is GLRLPACTMRRXSQ-AREMUKBSSA-N. The full InChI is InChI=1S/C28H25FN4O3/c1-3-36-23-9-6-8-22(17-23)33(28(35)25-18-30-15-16-31-25)26(24-10-5-4-7-19(24)2)27(34)32-21-13-11-20(29)12-14-21/h4-18,26H,3H2,1-2H3,(H,32,34)/t26-/m1/s1.

What are the key properties of N-(3-ethoxyphenyl)-N-[(1R)-2-(4-fluoroanilino)-1-(2-methylphenyl)-2-oxoethyl]pyrazine-2-carboxamide?

N-(3-ethoxyphenyl)-N-[(1R)-2-(4-fluoroanilino)-1-(2-methylphenyl)-2-oxoethyl]pyrazine-2-carboxamide has a molecular weight of 484.53 g/mol, XLogP of 5.35, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-ethoxyphenyl)-N-[(1R)-2-(4-fluoroanilino)-1-(2-methylphenyl)-2-oxoethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 1434805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).