4-fluoro-3-methoxy-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]benzamide

C23H23FN4O3 — CID 86297479

IUPAC4-fluoro-3-methoxy-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]benzamide
SMILESCOc1cc(C(=O)Nc2cnc(C)c(-c3ccnc(N4CCOCC4)c3)c2)ccc1F
InChIInChI=1S/C23H23FN4O3/c1-15-19(16-5-6-25-22(12-16)28-7-9-31-10-8-28)13-18(14-26-15)27-23(29)17-3-4-20(24)21(11-17)30-2/h3-6,11-14H,7-10H2,1-2H3,(H,27,29)
InChIKeyVNTMVGFGGXWVQD-UHFFFAOYSA-N
MW422.46 g/mol
LogP3.69
Rot. Bonds5

About 4-fluoro-3-methoxy-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]benzamide

4-fluoro-3-methoxy-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]benzamide (PubChem CID 86297479) has the molecular formula C23H23FN4O3 and a molecular weight of 422.46 g/mol. Its IUPAC name is 4-fluoro-3-methoxy-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-fluoro-3-methoxy-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]benzamide
PubChem CID86297479
Molecular FormulaC23H23FN4O3
Molecular Weight422.46 g/mol
Exact Mass422.18
IUPAC Name4-fluoro-3-methoxy-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]benzamide
SMILESCOc1cc(C(=O)Nc2cnc(C)c(-c3ccnc(N4CCOCC4)c3)c2)ccc1F
InChIInChI=1S/C23H23FN4O3/c1-15-19(16-5-6-25-22(12-16)28-7-9-31-10-8-28)13-18(14-26-15)27-23(29)17-3-4-20(24)21(11-17)30-2/h3-6,11-14H,7-10H2,1-2H3,(H,27,29)
InChIKeyVNTMVGFGGXWVQD-UHFFFAOYSA-N
XLogP3.69
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methoxy-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]benzamide?
The IUPAC name of 4-fluoro-3-methoxy-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]benzamide (CID 86297479) is 4-fluoro-3-methoxy-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]benzamide.
What is the SMILES notation for 4-fluoro-3-methoxy-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]benzamide?
The canonical SMILES for 4-fluoro-3-methoxy-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]benzamide is COc1cc(C(=O)Nc2cnc(C)c(-c3ccnc(N4CCOCC4)c3)c2)ccc1F.
What is the InChIKey of 4-fluoro-3-methoxy-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]benzamide?
The InChIKey is VNTMVGFGGXWVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O3/c1-15-19(16-5-6-25-22(12-16)28-7-9-31-10-8-28)13-18(14-26-15)27-23(29)17-3-4-20(24)21(11-17)30-2/h3-6,11-14H,7-10H2,1-2H3,(H,27,29).
What are the key properties of 4-fluoro-3-methoxy-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]benzamide?
4-fluoro-3-methoxy-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]benzamide has a molecular weight of 422.46 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methoxy-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]benzamide is sourced from PubChem (CID 86297479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).