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

C25H22FN5O2 — CID 138591291

IUPAC4-fluoro-N-[6-(5-piperidin-4-yloxy-3-pyridinyl)-2,7-naphthyridin-3-yl]benzamide
SMILESO=C(Nc1cc2cc(-c3cncc(OC4CCNCC4)c3)ncc2cn1)c1ccc(F)cc1
InChIInChI=1S/C25H22FN5O2/c26-20-3-1-16(2-4-20)25(32)31-24-11-17-10-23(29-13-19(17)14-30-24)18-9-22(15-28-12-18)33-21-5-7-27-8-6-21/h1-4,9-15,21,27H,5-8H2,(H,30,31,32)
InChIKeyPBIAJYYHGAYXQN-UHFFFAOYSA-N
MW443.48 g/mol
LogP4.21
Rot. Bonds5

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

4-fluoro-N-[6-(5-piperidin-4-yloxy-3-pyridinyl)-2,7-naphthyridin-3-yl]benzamide (PubChem CID 138591291) has the molecular formula C25H22FN5O2 and a molecular weight of 443.48 g/mol. Its IUPAC name is 4-fluoro-N-[6-(5-piperidin-4-yloxy-3-pyridinyl)-2,7-naphthyridin-3-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[6-(5-piperidin-4-yloxy-3-pyridinyl)-2,7-naphthyridin-3-yl]benzamide
PubChem CID138591291
Molecular FormulaC25H22FN5O2
Molecular Weight443.48 g/mol
Exact Mass443.18
IUPAC Name4-fluoro-N-[6-(5-piperidin-4-yloxy-3-pyridinyl)-2,7-naphthyridin-3-yl]benzamide
SMILESO=C(Nc1cc2cc(-c3cncc(OC4CCNCC4)c3)ncc2cn1)c1ccc(F)cc1
InChIInChI=1S/C25H22FN5O2/c26-20-3-1-16(2-4-20)25(32)31-24-11-17-10-23(29-13-19(17)14-30-24)18-9-22(15-28-12-18)33-21-5-7-27-8-6-21/h1-4,9-15,21,27H,5-8H2,(H,30,31,32)
InChIKeyPBIAJYYHGAYXQN-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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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[6-(5-piperidin-4-yloxy-3-pyridinyl)-2,7-naphthyridin-3-yl]benzamide?
The IUPAC name of 4-fluoro-N-[6-(5-piperidin-4-yloxy-3-pyridinyl)-2,7-naphthyridin-3-yl]benzamide (CID 138591291) is 4-fluoro-N-[6-(5-piperidin-4-yloxy-3-pyridinyl)-2,7-naphthyridin-3-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[6-(5-piperidin-4-yloxy-3-pyridinyl)-2,7-naphthyridin-3-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[6-(5-piperidin-4-yloxy-3-pyridinyl)-2,7-naphthyridin-3-yl]benzamide is O=C(Nc1cc2cc(-c3cncc(OC4CCNCC4)c3)ncc2cn1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[6-(5-piperidin-4-yloxy-3-pyridinyl)-2,7-naphthyridin-3-yl]benzamide?
The InChIKey is PBIAJYYHGAYXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5O2/c26-20-3-1-16(2-4-20)25(32)31-24-11-17-10-23(29-13-19(17)14-30-24)18-9-22(15-28-12-18)33-21-5-7-27-8-6-21/h1-4,9-15,21,27H,5-8H2,(H,30,31,32).
What are the key properties of 4-fluoro-N-[6-(5-piperidin-4-yloxy-3-pyridinyl)-2,7-naphthyridin-3-yl]benzamide?
4-fluoro-N-[6-(5-piperidin-4-yloxy-3-pyridinyl)-2,7-naphthyridin-3-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-[6-(5-piperidin-4-yloxy-3-pyridinyl)-2,7-naphthyridin-3-yl]benzamide is sourced from PubChem (CID 138591291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).