N-[(1R)-1-(2-ethoxyphenyl)-2-(4-fluoroanilino)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide

C26H23FN4O4 — CID 1434612

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

N-[(1R)-1-(2-ethoxyphenyl)-2-(4-fluoroanilino)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide (PubChem CID 1434612) has the molecular formula C26H23FN4O4 and a molecular weight of 474.49 g/mol. Its IUPAC name is N-[(1R)-1-(2-ethoxyphenyl)-2-(4-fluoroanilino)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-1-(2-ethoxyphenyl)-2-(4-fluoroanilino)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
• PubChem CID: 1434612
• Molecular Formula: C26H23FN4O4
• Molecular Weight: 474.49 g/mol
• Exact Mass: 474.17
• IUPAC Name: N-[(1R)-1-(2-ethoxyphenyl)-2-(4-fluoroanilino)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
• SMILES: CCOc1ccccc1[C@H](C(=O)Nc1ccc(F)cc1)N(Cc1ccco1)C(=O)c1cnccn1
• InChI: InChI=1S/C26H23FN4O4/c1-2-34-23-8-4-3-7-21(23)24(25(32)30-19-11-9-18(27)10-12-19)31(17-20-6-5-15-35-20)26(33)22-16-28-13-14-29-22/h3-16,24H,2,17H2,1H3,(H,30,32)/t24-/m1/s1
• InChIKey: XMLLFDPQFCHEMM-XMMPIXPASA-N
• XLogP: 4.63
• TPSA: 97.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.49
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[(1R)-1-(2-ethoxyphenyl)-2-(4-fluoroanilino)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide (CID 1434612) is N-[(1R)-1-(2-ethoxyphenyl)-2-(4-fluoroanilino)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide.

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

The canonical SMILES for N-[(1R)-1-(2-ethoxyphenyl)-2-(4-fluoroanilino)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide is CCOc1ccccc1[C@H](C(=O)Nc1ccc(F)cc1)N(Cc1ccco1)C(=O)c1cnccn1.

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

The InChIKey is XMLLFDPQFCHEMM-XMMPIXPASA-N. The full InChI is InChI=1S/C26H23FN4O4/c1-2-34-23-8-4-3-7-21(23)24(25(32)30-19-11-9-18(27)10-12-19)31(17-20-6-5-15-35-20)26(33)22-16-28-13-14-29-22/h3-16,24H,2,17H2,1H3,(H,30,32)/t24-/m1/s1.

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

N-[(1R)-1-(2-ethoxyphenyl)-2-(4-fluoroanilino)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide has a molecular weight of 474.49 g/mol, XLogP of 4.63, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-(2-ethoxyphenyl)-2-(4-fluoroanilino)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 1434612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).