N-[(5-fluoro-2-pyridinyl)methyl]-2-methyl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide

C23H20FN5O2 — CID 171635424

IUPACN-[(5-fluoro-2-pyridinyl)methyl]-2-methyl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide
SMILESCc1c(Oc2ccnc(-c3cnn(C)c3)c2)cccc1C(=O)NCc1ccc(F)cn1
InChIInChI=1S/C23H20FN5O2/c1-15-20(23(30)27-13-18-7-6-17(24)12-26-18)4-3-5-22(15)31-19-8-9-25-21(10-19)16-11-28-29(2)14-16/h3-12,14H,13H2,1-2H3,(H,27,30)
InChIKeyHGZQCVVXLXUWIB-UHFFFAOYSA-N
MW417.44 g/mol
LogP4.05
Rot. Bonds6

About N-[(5-fluoro-2-pyridinyl)methyl]-2-methyl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide

N-[(5-fluoro-2-pyridinyl)methyl]-2-methyl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide (PubChem CID 171635424) has the molecular formula C23H20FN5O2 and a molecular weight of 417.44 g/mol. Its IUPAC name is N-[(5-fluoro-2-pyridinyl)methyl]-2-methyl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide.

Molecular Properties

Compound NameN-[(5-fluoro-2-pyridinyl)methyl]-2-methyl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide
PubChem CID171635424
Molecular FormulaC23H20FN5O2
Molecular Weight417.44 g/mol
Exact Mass417.16
IUPAC NameN-[(5-fluoro-2-pyridinyl)methyl]-2-methyl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide
SMILESCc1c(Oc2ccnc(-c3cnn(C)c3)c2)cccc1C(=O)NCc1ccc(F)cn1
InChIInChI=1S/C23H20FN5O2/c1-15-20(23(30)27-13-18-7-6-17(24)12-26-18)4-3-5-22(15)31-19-8-9-25-21(10-19)16-11-28-29(2)14-16/h3-12,14H,13H2,1-2H3,(H,27,30)
InChIKeyHGZQCVVXLXUWIB-UHFFFAOYSA-N
XLogP4.05
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-pyridinyl)methyl]-2-methyl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide?
The IUPAC name of N-[(5-fluoro-2-pyridinyl)methyl]-2-methyl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide (CID 171635424) is N-[(5-fluoro-2-pyridinyl)methyl]-2-methyl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide.
What is the SMILES notation for N-[(5-fluoro-2-pyridinyl)methyl]-2-methyl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide?
The canonical SMILES for N-[(5-fluoro-2-pyridinyl)methyl]-2-methyl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide is Cc1c(Oc2ccnc(-c3cnn(C)c3)c2)cccc1C(=O)NCc1ccc(F)cn1.
What is the InChIKey of N-[(5-fluoro-2-pyridinyl)methyl]-2-methyl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide?
The InChIKey is HGZQCVVXLXUWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O2/c1-15-20(23(30)27-13-18-7-6-17(24)12-26-18)4-3-5-22(15)31-19-8-9-25-21(10-19)16-11-28-29(2)14-16/h3-12,14H,13H2,1-2H3,(H,27,30).
What are the key properties of N-[(5-fluoro-2-pyridinyl)methyl]-2-methyl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide?
N-[(5-fluoro-2-pyridinyl)methyl]-2-methyl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide has a molecular weight of 417.44 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-pyridinyl)methyl]-2-methyl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide is sourced from PubChem (CID 171635424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).