N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-[2-(4-fluoroanilino)-2-oxoethyl]-6-oxopyridine-3-carboxamide

C23H20FN5O3 — CID 92634507

About N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-[2-(4-fluoroanilino)-2-oxoethyl]-6-oxopyridine-3-carboxamide

N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-[2-(4-fluoroanilino)-2-oxoethyl]-6-oxopyridine-3-carboxamide (PubChem CID 92634507) has the molecular formula C23H20FN5O3 and a molecular weight of 433.44 g/mol. Its IUPAC name is N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-[2-(4-fluoroanilino)-2-oxoethyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-[2-(4-fluoroanilino)-2-oxoethyl]-6-oxopyridine-3-carboxamide
• PubChem CID: 92634507
• Molecular Formula: C23H20FN5O3
• Molecular Weight: 433.44 g/mol
• Exact Mass: 433.16
• IUPAC Name: N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-[2-(4-fluoroanilino)-2-oxoethyl]-6-oxopyridine-3-carboxamide
• SMILES: C[C@@H](NC(=O)c1ccc(=O)n(CC(=O)Nc2ccc(F)cc2)c1)c1nc2ccccc2[nH]1
• InChI: InChI=1S/C23H20FN5O3/c1-14(22-27-18-4-2-3-5-19(18)28-22)25-23(32)15-6-11-21(31)29(12-15)13-20(30)26-17-9-7-16(24)8-10-17/h2-12,14H,13H2,1H3,(H,25,32)(H,26,30)(H,27,28)/t14-/m1/s1
• InChIKey: QLLXNJYOJBQANL-CQSZACIVSA-N
• XLogP: 2.99
• TPSA: 108.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.44
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-[2-(4-fluoroanilino)-2-oxoethyl]-6-oxopyridine-3-carboxamide?

The IUPAC name of N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-[2-(4-fluoroanilino)-2-oxoethyl]-6-oxopyridine-3-carboxamide (CID 92634507) is N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-[2-(4-fluoroanilino)-2-oxoethyl]-6-oxopyridine-3-carboxamide.

What is the SMILES notation for N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-[2-(4-fluoroanilino)-2-oxoethyl]-6-oxopyridine-3-carboxamide?

The canonical SMILES for N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-[2-(4-fluoroanilino)-2-oxoethyl]-6-oxopyridine-3-carboxamide is C[C@@H](NC(=O)c1ccc(=O)n(CC(=O)Nc2ccc(F)cc2)c1)c1nc2ccccc2[nH]1.

What is the InChIKey of N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-[2-(4-fluoroanilino)-2-oxoethyl]-6-oxopyridine-3-carboxamide?

The InChIKey is QLLXNJYOJBQANL-CQSZACIVSA-N. The full InChI is InChI=1S/C23H20FN5O3/c1-14(22-27-18-4-2-3-5-19(18)28-22)25-23(32)15-6-11-21(31)29(12-15)13-20(30)26-17-9-7-16(24)8-10-17/h2-12,14H,13H2,1H3,(H,25,32)(H,26,30)(H,27,28)/t14-/m1/s1.

What are the key properties of N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-[2-(4-fluoroanilino)-2-oxoethyl]-6-oxopyridine-3-carboxamide?

N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-[2-(4-fluoroanilino)-2-oxoethyl]-6-oxopyridine-3-carboxamide has a molecular weight of 433.44 g/mol, XLogP of 2.99, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-[2-(4-fluoroanilino)-2-oxoethyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 92634507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).