N-[(1R)-2-(4-fluoroanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide

C28H25FN4O3 — CID 1435515

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

N-[(1R)-2-(4-fluoroanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide (PubChem CID 1435515) has the molecular formula C28H25FN4O3 and a molecular weight of 484.53 g/mol. Its IUPAC name is N-[(1R)-2-(4-fluoroanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-2-(4-fluoroanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide
• PubChem CID: 1435515
• Molecular Formula: C28H25FN4O3
• Molecular Weight: 484.53 g/mol
• Exact Mass: 484.19
• IUPAC Name: N-[(1R)-2-(4-fluoroanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide
• SMILES: COc1ccc([C@H](C(=O)Nc2ccc(F)cc2)N(Cc2ccc(C)cc2)C(=O)c2cnccn2)cc1
• InChI: InChI=1S/C28H25FN4O3/c1-19-3-5-20(6-4-19)18-33(28(35)25-17-30-15-16-31-25)26(21-7-13-24(36-2)14-8-21)27(34)32-23-11-9-22(29)10-12-23/h3-17,26H,18H2,1-2H3,(H,32,34)/t26-/m1/s1
• InChIKey: LSPRHGPLVLGNNL-AREMUKBSSA-N
• XLogP: 4.96
• TPSA: 84.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.53
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[(1R)-2-(4-fluoroanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide (CID 1435515) is N-[(1R)-2-(4-fluoroanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide.

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

The canonical SMILES for N-[(1R)-2-(4-fluoroanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide is COc1ccc([C@H](C(=O)Nc2ccc(F)cc2)N(Cc2ccc(C)cc2)C(=O)c2cnccn2)cc1.

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

The InChIKey is LSPRHGPLVLGNNL-AREMUKBSSA-N. The full InChI is InChI=1S/C28H25FN4O3/c1-19-3-5-20(6-4-19)18-33(28(35)25-17-30-15-16-31-25)26(21-7-13-24(36-2)14-8-21)27(34)32-23-11-9-22(29)10-12-23/h3-17,26H,18H2,1-2H3,(H,32,34)/t26-/m1/s1.

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

N-[(1R)-2-(4-fluoroanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide has a molecular weight of 484.53 g/mol, XLogP of 4.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-2-(4-fluoroanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 1435515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).