4-fluoro-N-[2-(5-piperidin-4-yloxy-3-pyridinyl)-1,6-naphthyridin-7-yl]benzamide

C25H22FN5O2 — CID 138591626

IUPAC4-fluoro-N-[2-(5-piperidin-4-yloxy-3-pyridinyl)-1,6-naphthyridin-7-yl]benzamide
SMILESO=C(Nc1cc2nc(-c3cncc(OC4CCNCC4)c3)ccc2cn1)c1ccc(F)cc1
InChIInChI=1S/C25H22FN5O2/c26-19-4-1-16(2-5-19)25(32)31-24-12-23-17(14-29-24)3-6-22(30-23)18-11-21(15-28-13-18)33-20-7-9-27-10-8-20/h1-6,11-15,20,27H,7-10H2,(H,29,31,32)
InChIKeyXLGJJAYVLXWHBI-UHFFFAOYSA-N
MW443.48 g/mol
LogP4.21
Rot. Bonds5

About 4-fluoro-N-[2-(5-piperidin-4-yloxy-3-pyridinyl)-1,6-naphthyridin-7-yl]benzamide

4-fluoro-N-[2-(5-piperidin-4-yloxy-3-pyridinyl)-1,6-naphthyridin-7-yl]benzamide (PubChem CID 138591626) has the molecular formula C25H22FN5O2 and a molecular weight of 443.48 g/mol. Its IUPAC name is 4-fluoro-N-[2-(5-piperidin-4-yloxy-3-pyridinyl)-1,6-naphthyridin-7-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(5-piperidin-4-yloxy-3-pyridinyl)-1,6-naphthyridin-7-yl]benzamide
PubChem CID138591626
Molecular FormulaC25H22FN5O2
Molecular Weight443.48 g/mol
Exact Mass443.18
IUPAC Name4-fluoro-N-[2-(5-piperidin-4-yloxy-3-pyridinyl)-1,6-naphthyridin-7-yl]benzamide
SMILESO=C(Nc1cc2nc(-c3cncc(OC4CCNCC4)c3)ccc2cn1)c1ccc(F)cc1
InChIInChI=1S/C25H22FN5O2/c26-19-4-1-16(2-5-19)25(32)31-24-12-23-17(14-29-24)3-6-22(30-23)18-11-21(15-28-13-18)33-20-7-9-27-10-8-20/h1-6,11-15,20,27H,7-10H2,(H,29,31,32)
InChIKeyXLGJJAYVLXWHBI-UHFFFAOYSA-N
XLogP4.21
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-fluoro-9-oxo-N-(2-{2H,3H,4H-pyrido[3,2-b][1,4]oxazin-7-yl}propan-2-yl)-9,10-dihydroacridine-3-carboxamide
CID 16748528
Pyridostatin
CID 25227847
4-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N,N-dimethylbenzamide
CID 44521025
US11866436, Example 7
CID 164914982
6-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 10256734
4-[6-(4-morpholin-4-ylbut-2-ynoylamino)quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide
CID 121280705
4-[6-(5-morpholin-4-ylpent-2-ynoylamino)quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide
CID 145059705
Mnk/pim-IN-1
CID 150237192
6-[[[(3R,6S)-6-[(1R)-1-amino-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 25129265
6-[[[(3R,6S)-6-[(1S)-1-amino-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 25129266
6-[[[(3R,6S)-6-[(1S)-1-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 25134040
(4-Benzyloxy-phenyl)-(6-(5-(pyridin-3-ylaminomethyl)-furan-2-yl)-pyrido[3,4-d]pyrimidin-4-yl)-amine
CID 44531689

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(5-piperidin-4-yloxy-3-pyridinyl)-1,6-naphthyridin-7-yl]benzamide?
The IUPAC name of 4-fluoro-N-[2-(5-piperidin-4-yloxy-3-pyridinyl)-1,6-naphthyridin-7-yl]benzamide (CID 138591626) is 4-fluoro-N-[2-(5-piperidin-4-yloxy-3-pyridinyl)-1,6-naphthyridin-7-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-(5-piperidin-4-yloxy-3-pyridinyl)-1,6-naphthyridin-7-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-(5-piperidin-4-yloxy-3-pyridinyl)-1,6-naphthyridin-7-yl]benzamide is O=C(Nc1cc2nc(-c3cncc(OC4CCNCC4)c3)ccc2cn1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-(5-piperidin-4-yloxy-3-pyridinyl)-1,6-naphthyridin-7-yl]benzamide?
The InChIKey is XLGJJAYVLXWHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5O2/c26-19-4-1-16(2-5-19)25(32)31-24-12-23-17(14-29-24)3-6-22(30-23)18-11-21(15-28-13-18)33-20-7-9-27-10-8-20/h1-6,11-15,20,27H,7-10H2,(H,29,31,32).
What are the key properties of 4-fluoro-N-[2-(5-piperidin-4-yloxy-3-pyridinyl)-1,6-naphthyridin-7-yl]benzamide?
4-fluoro-N-[2-(5-piperidin-4-yloxy-3-pyridinyl)-1,6-naphthyridin-7-yl]benzamide has a molecular weight of 443.48 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(5-piperidin-4-yloxy-3-pyridinyl)-1,6-naphthyridin-7-yl]benzamide is sourced from PubChem (CID 138591626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).