N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-5-methyl-2-oxo-1H-1,6-naphthyridine-3-carboxamide

C23H26FN5O2 — CID 6181376

IUPACN-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-5-methyl-2-oxo-1H-1,6-naphthyridine-3-carboxamide
SMILESCc1nccc2[nH]c(=O)c(C(=O)NCCCN3CCN(c4ccccc4F)CC3)cc12
InChIInChI=1S/C23H26FN5O2/c1-16-17-15-18(23(31)27-20(17)7-9-25-16)22(30)26-8-4-10-28-11-13-29(14-12-28)21-6-3-2-5-19(21)24/h2-3,5-7,9,15H,4,8,10-14H2,1H3,(H,26,30)(H,27,31)
InChIKeyRCPIARIYSDYJOS-UHFFFAOYSA-N
MW423.49 g/mol
LogP2.31
Rot. Bonds6

About N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-5-methyl-2-oxo-1H-1,6-naphthyridine-3-carboxamide

N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-5-methyl-2-oxo-1H-1,6-naphthyridine-3-carboxamide (PubChem CID 6181376) has the molecular formula C23H26FN5O2 and a molecular weight of 423.49 g/mol. Its IUPAC name is N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-5-methyl-2-oxo-1H-1,6-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-5-methyl-2-oxo-1H-1,6-naphthyridine-3-carboxamide
PubChem CID6181376
Molecular FormulaC23H26FN5O2
Molecular Weight423.49 g/mol
Exact Mass423.21
IUPAC NameN-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-5-methyl-2-oxo-1H-1,6-naphthyridine-3-carboxamide
SMILESCc1nccc2[nH]c(=O)c(C(=O)NCCCN3CCN(c4ccccc4F)CC3)cc12
InChIInChI=1S/C23H26FN5O2/c1-16-17-15-18(23(31)27-20(17)7-9-25-16)22(30)26-8-4-10-28-11-13-29(14-12-28)21-6-3-2-5-19(21)24/h2-3,5-7,9,15H,4,8,10-14H2,1H3,(H,26,30)(H,27,31)
InChIKeyRCPIARIYSDYJOS-UHFFFAOYSA-N
XLogP2.31
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-5-methyl-2-oxo-1H-1,6-naphthyridine-3-carboxamide?
The IUPAC name of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-5-methyl-2-oxo-1H-1,6-naphthyridine-3-carboxamide (CID 6181376) is N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-5-methyl-2-oxo-1H-1,6-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-5-methyl-2-oxo-1H-1,6-naphthyridine-3-carboxamide?
The canonical SMILES for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-5-methyl-2-oxo-1H-1,6-naphthyridine-3-carboxamide is Cc1nccc2[nH]c(=O)c(C(=O)NCCCN3CCN(c4ccccc4F)CC3)cc12.
What is the InChIKey of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-5-methyl-2-oxo-1H-1,6-naphthyridine-3-carboxamide?
The InChIKey is RCPIARIYSDYJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O2/c1-16-17-15-18(23(31)27-20(17)7-9-25-16)22(30)26-8-4-10-28-11-13-29(14-12-28)21-6-3-2-5-19(21)24/h2-3,5-7,9,15H,4,8,10-14H2,1H3,(H,26,30)(H,27,31).
What are the key properties of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-5-methyl-2-oxo-1H-1,6-naphthyridine-3-carboxamide?
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-5-methyl-2-oxo-1H-1,6-naphthyridine-3-carboxamide has a molecular weight of 423.49 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-5-methyl-2-oxo-1H-1,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 6181376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).