5-[(2R)-4-[(8-fluoro-6-oxo-5H-benzo[c][1,5]naphthyridin-3-yl)methyl]-2-methylpiperazin-1-yl]-N-methylpyridine-2-carboxamide

C25H25FN6O2 — CID 167179043

IUPAC5-[(2R)-4-[(8-fluoro-6-oxo-5H-benzo[c][1,5]naphthyridin-3-yl)methyl]-2-methylpiperazin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCN(Cc3cnc4c(c3)[nH]c(=O)c3cc(F)ccc34)C[C@H]2C)cn1
InChIInChI=1S/C25H25FN6O2/c1-15-13-31(7-8-32(15)18-4-6-21(28-12-18)25(34)27-2)14-16-9-22-23(29-11-16)19-5-3-17(26)10-20(19)24(33)30-22/h3-6,9-12,15H,7-8,13-14H2,1-2H3,(H,27,34)(H,30,33)/t15-/m1/s1
InChIKeyGOJPLXKKOPNYDP-OAHLLOKOSA-N
MW460.51 g/mol
LogP2.68
Rot. Bonds4

About 5-[(2R)-4-[(8-fluoro-6-oxo-5H-benzo[c][1,5]naphthyridin-3-yl)methyl]-2-methylpiperazin-1-yl]-N-methylpyridine-2-carboxamide

5-[(2R)-4-[(8-fluoro-6-oxo-5H-benzo[c][1,5]naphthyridin-3-yl)methyl]-2-methylpiperazin-1-yl]-N-methylpyridine-2-carboxamide (PubChem CID 167179043) has the molecular formula C25H25FN6O2 and a molecular weight of 460.51 g/mol. Its IUPAC name is 5-[(2R)-4-[(8-fluoro-6-oxo-5H-benzo[c][1,5]naphthyridin-3-yl)methyl]-2-methylpiperazin-1-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(2R)-4-[(8-fluoro-6-oxo-5H-benzo[c][1,5]naphthyridin-3-yl)methyl]-2-methylpiperazin-1-yl]-N-methylpyridine-2-carboxamide
PubChem CID167179043
Molecular FormulaC25H25FN6O2
Molecular Weight460.51 g/mol
Exact Mass460.20
IUPAC Name5-[(2R)-4-[(8-fluoro-6-oxo-5H-benzo[c][1,5]naphthyridin-3-yl)methyl]-2-methylpiperazin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCN(Cc3cnc4c(c3)[nH]c(=O)c3cc(F)ccc34)C[C@H]2C)cn1
InChIInChI=1S/C25H25FN6O2/c1-15-13-31(7-8-32(15)18-4-6-21(28-12-18)25(34)27-2)14-16-9-22-23(29-11-16)19-5-3-17(26)10-20(19)24(33)30-22/h3-6,9-12,15H,7-8,13-14H2,1-2H3,(H,27,34)(H,30,33)/t15-/m1/s1
InChIKeyGOJPLXKKOPNYDP-OAHLLOKOSA-N
XLogP2.68
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

5-[(3S)-4-[(8-fluoro-6-oxo-5H-benzo[c][1,5]naphthyridin-3-yl)methyl]-3-(hydroxymethyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 167179045
5-[(3R)-4-[(8-fluoro-6-oxo-5H-benzo[c][1,5]naphthyridin-3-yl)methyl]-3-(hydroxymethyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 167179139
5-[(3S)-3-(cyanomethyl)-4-[(8-fluoro-6-oxo-5H-benzo[c][1,5]naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 167179078
5-[(2S)-4-[(3-ethyl-2,4-dioxo-1H-quinazolin-7-yl)methyl]-2-methylpiperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 170981529
5-[(2R)-4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-(hydroxymethyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 167179049
N-methyl-5-[4-[(6-oxo-5,7,8,9-tetrahydrocyclopenta[c][1,5]naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 166088928
5-[4-[(8-amino-7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 171812237
N-methyl-5-[(1S,6R)-5-[(6-oxo-5,7,8,9-tetrahydrocyclopenta[c][1,5]naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.1.0]heptan-2-yl]pyridine-2-carboxamide
CID 176817115
3-chloro-5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-methylpiperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 167179154
5-[4-[(3-ethyl-2-oxo-4-sulfanylidene-1H-quinazolin-7-yl)methyl]-2-methylpiperazin-1-yl]-3-fluoro-N-methylpyridine-2-carboxamide
CID 170981533
5-[4-[(9-fluoro-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 171572861
8-fluoro-3-(hydroxymethyl)-5H-benzo[c][1,5]naphthyridin-6-one
CID 167179091

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-4-[(8-fluoro-6-oxo-5H-benzo[c][1,5]naphthyridin-3-yl)methyl]-2-methylpiperazin-1-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[(2R)-4-[(8-fluoro-6-oxo-5H-benzo[c][1,5]naphthyridin-3-yl)methyl]-2-methylpiperazin-1-yl]-N-methylpyridine-2-carboxamide (CID 167179043) is 5-[(2R)-4-[(8-fluoro-6-oxo-5H-benzo[c][1,5]naphthyridin-3-yl)methyl]-2-methylpiperazin-1-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[(2R)-4-[(8-fluoro-6-oxo-5H-benzo[c][1,5]naphthyridin-3-yl)methyl]-2-methylpiperazin-1-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[(2R)-4-[(8-fluoro-6-oxo-5H-benzo[c][1,5]naphthyridin-3-yl)methyl]-2-methylpiperazin-1-yl]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(N2CCN(Cc3cnc4c(c3)[nH]c(=O)c3cc(F)ccc34)C[C@H]2C)cn1.
What is the InChIKey of 5-[(2R)-4-[(8-fluoro-6-oxo-5H-benzo[c][1,5]naphthyridin-3-yl)methyl]-2-methylpiperazin-1-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is GOJPLXKKOPNYDP-OAHLLOKOSA-N. The full InChI is InChI=1S/C25H25FN6O2/c1-15-13-31(7-8-32(15)18-4-6-21(28-12-18)25(34)27-2)14-16-9-22-23(29-11-16)19-5-3-17(26)10-20(19)24(33)30-22/h3-6,9-12,15H,7-8,13-14H2,1-2H3,(H,27,34)(H,30,33)/t15-/m1/s1.
What are the key properties of 5-[(2R)-4-[(8-fluoro-6-oxo-5H-benzo[c][1,5]naphthyridin-3-yl)methyl]-2-methylpiperazin-1-yl]-N-methylpyridine-2-carboxamide?
5-[(2R)-4-[(8-fluoro-6-oxo-5H-benzo[c][1,5]naphthyridin-3-yl)methyl]-2-methylpiperazin-1-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 460.51 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-4-[(8-fluoro-6-oxo-5H-benzo[c][1,5]naphthyridin-3-yl)methyl]-2-methylpiperazin-1-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 167179043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).