1-[2-(dimethylcarbamoylamino)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(oxolan-2-ylmethyl)-1,5-naphthyridine-3-carboxamide

C26H30FN5O5 — CID 69482240

About 1-[2-(dimethylcarbamoylamino)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(oxolan-2-ylmethyl)-1,5-naphthyridine-3-carboxamide

1-[2-(dimethylcarbamoylamino)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(oxolan-2-ylmethyl)-1,5-naphthyridine-3-carboxamide (PubChem CID 69482240) has the molecular formula C26H30FN5O5 and a molecular weight of 511.55 g/mol. Its IUPAC name is 1-[2-(dimethylcarbamoylamino)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(oxolan-2-ylmethyl)-1,5-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[2-(dimethylcarbamoylamino)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(oxolan-2-ylmethyl)-1,5-naphthyridine-3-carboxamide
• PubChem CID: 69482240
• Molecular Formula: C26H30FN5O5
• Molecular Weight: 511.55 g/mol
• Exact Mass: 511.22
• IUPAC Name: 1-[2-(dimethylcarbamoylamino)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(oxolan-2-ylmethyl)-1,5-naphthyridine-3-carboxamide
• SMILES: CN(C)C(=O)NCCn1c(=O)c(C(=O)NCC2CCCO2)c(O)c2ncc(Cc3ccc(F)cc3)cc21
• InChI: InChI=1S/C26H30FN5O5/c1-31(2)26(36)28-9-10-32-20-13-17(12-16-5-7-18(27)8-6-16)14-29-22(20)23(33)21(25(32)35)24(34)30-15-19-4-3-11-37-19/h5-8,13-14,19,33H,3-4,9-12,15H2,1-2H3,(H,28,36)(H,30,34)
• InChIKey: ZQKCXMKJQJZTRZ-UHFFFAOYSA-N
• XLogP: 2.01
• TPSA: 125.79 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.55
LogP ≤ 5	2.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylcarbamoylamino)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(oxolan-2-ylmethyl)-1,5-naphthyridine-3-carboxamide?

The IUPAC name of 1-[2-(dimethylcarbamoylamino)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(oxolan-2-ylmethyl)-1,5-naphthyridine-3-carboxamide (CID 69482240) is 1-[2-(dimethylcarbamoylamino)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(oxolan-2-ylmethyl)-1,5-naphthyridine-3-carboxamide.

What is the SMILES notation for 1-[2-(dimethylcarbamoylamino)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(oxolan-2-ylmethyl)-1,5-naphthyridine-3-carboxamide?

The canonical SMILES for 1-[2-(dimethylcarbamoylamino)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(oxolan-2-ylmethyl)-1,5-naphthyridine-3-carboxamide is CN(C)C(=O)NCCn1c(=O)c(C(=O)NCC2CCCO2)c(O)c2ncc(Cc3ccc(F)cc3)cc21.

What is the InChIKey of 1-[2-(dimethylcarbamoylamino)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(oxolan-2-ylmethyl)-1,5-naphthyridine-3-carboxamide?

The InChIKey is ZQKCXMKJQJZTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O5/c1-31(2)26(36)28-9-10-32-20-13-17(12-16-5-7-18(27)8-6-16)14-29-22(20)23(33)21(25(32)35)24(34)30-15-19-4-3-11-37-19/h5-8,13-14,19,33H,3-4,9-12,15H2,1-2H3,(H,28,36)(H,30,34).

What are the key properties of 1-[2-(dimethylcarbamoylamino)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(oxolan-2-ylmethyl)-1,5-naphthyridine-3-carboxamide?

1-[2-(dimethylcarbamoylamino)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(oxolan-2-ylmethyl)-1,5-naphthyridine-3-carboxamide has a molecular weight of 511.55 g/mol, XLogP of 2.01, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(dimethylcarbamoylamino)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(oxolan-2-ylmethyl)-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 69482240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).