N-(4-fluorophenyl)-6-oxo-1-[2-oxo-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]pyridine-3-carboxamide

C21H19FN4O3 — CID 92635901

About N-(4-fluorophenyl)-6-oxo-1-[2-oxo-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]pyridine-3-carboxamide

N-(4-fluorophenyl)-6-oxo-1-[2-oxo-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]pyridine-3-carboxamide (PubChem CID 92635901) has the molecular formula C21H19FN4O3 and a molecular weight of 394.41 g/mol. Its IUPAC name is N-(4-fluorophenyl)-6-oxo-1-[2-oxo-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(4-fluorophenyl)-6-oxo-1-[2-oxo-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]pyridine-3-carboxamide
• PubChem CID: 92635901
• Molecular Formula: C21H19FN4O3
• Molecular Weight: 394.41 g/mol
• Exact Mass: 394.14
• IUPAC Name: N-(4-fluorophenyl)-6-oxo-1-[2-oxo-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]pyridine-3-carboxamide
• SMILES: C[C@@H](NC(=O)Cn1cc(C(=O)Nc2ccc(F)cc2)ccc1=O)c1ccccn1
• InChI: InChI=1S/C21H19FN4O3/c1-14(18-4-2-3-11-23-18)24-19(27)13-26-12-15(5-10-20(26)28)21(29)25-17-8-6-16(22)7-9-17/h2-12,14H,13H2,1H3,(H,24,27)(H,25,29)/t14-/m1/s1
• InChIKey: DVEQUQWCMDNEEJ-CQSZACIVSA-N
• XLogP: 2.51
• TPSA: 93.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.41
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-6-oxo-1-[2-oxo-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]pyridine-3-carboxamide?

The IUPAC name of N-(4-fluorophenyl)-6-oxo-1-[2-oxo-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]pyridine-3-carboxamide (CID 92635901) is N-(4-fluorophenyl)-6-oxo-1-[2-oxo-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]pyridine-3-carboxamide.

What is the SMILES notation for N-(4-fluorophenyl)-6-oxo-1-[2-oxo-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]pyridine-3-carboxamide?

The canonical SMILES for N-(4-fluorophenyl)-6-oxo-1-[2-oxo-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]pyridine-3-carboxamide is C[C@@H](NC(=O)Cn1cc(C(=O)Nc2ccc(F)cc2)ccc1=O)c1ccccn1.

What is the InChIKey of N-(4-fluorophenyl)-6-oxo-1-[2-oxo-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]pyridine-3-carboxamide?

The InChIKey is DVEQUQWCMDNEEJ-CQSZACIVSA-N. The full InChI is InChI=1S/C21H19FN4O3/c1-14(18-4-2-3-11-23-18)24-19(27)13-26-12-15(5-10-20(26)28)21(29)25-17-8-6-16(22)7-9-17/h2-12,14H,13H2,1H3,(H,24,27)(H,25,29)/t14-/m1/s1.

What are the key properties of N-(4-fluorophenyl)-6-oxo-1-[2-oxo-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]pyridine-3-carboxamide?

N-(4-fluorophenyl)-6-oxo-1-[2-oxo-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]pyridine-3-carboxamide has a molecular weight of 394.41 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-fluorophenyl)-6-oxo-1-[2-oxo-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 92635901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).