N-[(2R)-5-(diethylamino)pentan-2-yl]-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide

C25H31FN4O2 — CID 26844200

About N-[(2R)-5-(diethylamino)pentan-2-yl]-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide

N-[(2R)-5-(diethylamino)pentan-2-yl]-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 26844200) has the molecular formula C25H31FN4O2 and a molecular weight of 438.55 g/mol. Its IUPAC name is N-[(2R)-5-(diethylamino)pentan-2-yl]-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-5-(diethylamino)pentan-2-yl]-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
• PubChem CID: 26844200
• Molecular Formula: C25H31FN4O2
• Molecular Weight: 438.55 g/mol
• Exact Mass: 438.24
• IUPAC Name: N-[(2R)-5-(diethylamino)pentan-2-yl]-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
• SMILES: CCN(CC)CCC[C@@H](C)NC(=O)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O
• InChI: InChI=1S/C25H31FN4O2/c1-4-29(5-2)15-7-8-18(3)28-24(31)22-16-20-9-6-14-27-23(20)30(25(22)32)17-19-10-12-21(26)13-11-19/h6,9-14,16,18H,4-5,7-8,15,17H2,1-3H3,(H,28,31)/t18-/m1/s1
• InChIKey: YKLUVVOIBFKMPC-GOSISDBHSA-N
• XLogP: 3.82
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.55
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-5-(diethylamino)pentan-2-yl]-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?

The IUPAC name of N-[(2R)-5-(diethylamino)pentan-2-yl]-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide (CID 26844200) is N-[(2R)-5-(diethylamino)pentan-2-yl]-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide.

What is the SMILES notation for N-[(2R)-5-(diethylamino)pentan-2-yl]-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?

The canonical SMILES for N-[(2R)-5-(diethylamino)pentan-2-yl]-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide is CCN(CC)CCC[C@@H](C)NC(=O)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O.

What is the InChIKey of N-[(2R)-5-(diethylamino)pentan-2-yl]-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?

The InChIKey is YKLUVVOIBFKMPC-GOSISDBHSA-N. The full InChI is InChI=1S/C25H31FN4O2/c1-4-29(5-2)15-7-8-18(3)28-24(31)22-16-20-9-6-14-27-23(20)30(25(22)32)17-19-10-12-21(26)13-11-19/h6,9-14,16,18H,4-5,7-8,15,17H2,1-3H3,(H,28,31)/t18-/m1/s1.

What are the key properties of N-[(2R)-5-(diethylamino)pentan-2-yl]-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?

N-[(2R)-5-(diethylamino)pentan-2-yl]-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 438.55 g/mol, XLogP of 3.82, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-5-(diethylamino)pentan-2-yl]-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 26844200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).