4-[[6-[(6-cyclopropyl-3-pyridinyl)methoxy]-5-fluoro-3-pyridinyl]oxy]-N-methylpyridine-2-carboxamide

C21H19FN4O3 — CID 126483952

IUPAC4-[[6-[(6-cyclopropyl-3-pyridinyl)methoxy]-5-fluoro-3-pyridinyl]oxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2cnc(OCc3ccc(C4CC4)nc3)c(F)c2)ccn1
InChIInChI=1S/C21H19FN4O3/c1-23-20(27)19-9-15(6-7-24-19)29-16-8-17(22)21(26-11-16)28-12-13-2-5-18(25-10-13)14-3-4-14/h2,5-11,14H,3-4,12H2,1H3,(H,23,27)
InChIKeyVKZUNDQUFHXHAG-UHFFFAOYSA-N
MW394.41 g/mol
LogP3.62
Rot. Bonds7

About 4-[[6-[(6-cyclopropyl-3-pyridinyl)methoxy]-5-fluoro-3-pyridinyl]oxy]-N-methylpyridine-2-carboxamide

4-[[6-[(6-cyclopropyl-3-pyridinyl)methoxy]-5-fluoro-3-pyridinyl]oxy]-N-methylpyridine-2-carboxamide (PubChem CID 126483952) has the molecular formula C21H19FN4O3 and a molecular weight of 394.41 g/mol. Its IUPAC name is 4-[[6-[(6-cyclopropyl-3-pyridinyl)methoxy]-5-fluoro-3-pyridinyl]oxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[6-[(6-cyclopropyl-3-pyridinyl)methoxy]-5-fluoro-3-pyridinyl]oxy]-N-methylpyridine-2-carboxamide
PubChem CID126483952
Molecular FormulaC21H19FN4O3
Molecular Weight394.41 g/mol
Exact Mass394.14
IUPAC Name4-[[6-[(6-cyclopropyl-3-pyridinyl)methoxy]-5-fluoro-3-pyridinyl]oxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2cnc(OCc3ccc(C4CC4)nc3)c(F)c2)ccn1
InChIInChI=1S/C21H19FN4O3/c1-23-20(27)19-9-15(6-7-24-19)29-16-8-17(22)21(26-11-16)28-12-13-2-5-18(25-10-13)14-3-4-14/h2,5-11,14H,3-4,12H2,1H3,(H,23,27)
InChIKeyVKZUNDQUFHXHAG-UHFFFAOYSA-N
XLogP3.62
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-[(6-cyclopropyl-3-pyridinyl)methoxy]-5-fluoro-3-pyridinyl]oxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[[6-[(6-cyclopropyl-3-pyridinyl)methoxy]-5-fluoro-3-pyridinyl]oxy]-N-methylpyridine-2-carboxamide (CID 126483952) is 4-[[6-[(6-cyclopropyl-3-pyridinyl)methoxy]-5-fluoro-3-pyridinyl]oxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[[6-[(6-cyclopropyl-3-pyridinyl)methoxy]-5-fluoro-3-pyridinyl]oxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[[6-[(6-cyclopropyl-3-pyridinyl)methoxy]-5-fluoro-3-pyridinyl]oxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2cnc(OCc3ccc(C4CC4)nc3)c(F)c2)ccn1.
What is the InChIKey of 4-[[6-[(6-cyclopropyl-3-pyridinyl)methoxy]-5-fluoro-3-pyridinyl]oxy]-N-methylpyridine-2-carboxamide?
The InChIKey is VKZUNDQUFHXHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O3/c1-23-20(27)19-9-15(6-7-24-19)29-16-8-17(22)21(26-11-16)28-12-13-2-5-18(25-10-13)14-3-4-14/h2,5-11,14H,3-4,12H2,1H3,(H,23,27).
What are the key properties of 4-[[6-[(6-cyclopropyl-3-pyridinyl)methoxy]-5-fluoro-3-pyridinyl]oxy]-N-methylpyridine-2-carboxamide?
4-[[6-[(6-cyclopropyl-3-pyridinyl)methoxy]-5-fluoro-3-pyridinyl]oxy]-N-methylpyridine-2-carboxamide has a molecular weight of 394.41 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[(6-cyclopropyl-3-pyridinyl)methoxy]-5-fluoro-3-pyridinyl]oxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 126483952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).