2-[(2,4-dimethyl-3-pyridinyl)oxy]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide

C23H24FN3O3 — CID 175768406

IUPAC2-[(2,4-dimethyl-3-pyridinyl)oxy]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide
SMILESCc1ccnc(C)c1Oc1nc(-c2cc(F)cc(OCC(C)C)c2)ccc1C(N)=O
InChIInChI=1S/C23H24FN3O3/c1-13(2)12-29-18-10-16(9-17(24)11-18)20-6-5-19(22(25)28)23(27-20)30-21-14(3)7-8-26-15(21)4/h5-11,13H,12H2,1-4H3,(H2,25,28)
InChIKeyLIPPCSHDIMAHEU-UHFFFAOYSA-N
MW409.46 g/mol
LogP4.83
Rot. Bonds7

About 2-[(2,4-dimethyl-3-pyridinyl)oxy]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide

2-[(2,4-dimethyl-3-pyridinyl)oxy]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide (PubChem CID 175768406) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is 2-[(2,4-dimethyl-3-pyridinyl)oxy]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(2,4-dimethyl-3-pyridinyl)oxy]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide
PubChem CID175768406
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC Name2-[(2,4-dimethyl-3-pyridinyl)oxy]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide
SMILESCc1ccnc(C)c1Oc1nc(-c2cc(F)cc(OCC(C)C)c2)ccc1C(N)=O
InChIInChI=1S/C23H24FN3O3/c1-13(2)12-29-18-10-16(9-17(24)11-18)20-6-5-19(22(25)28)23(27-20)30-21-14(3)7-8-26-15(21)4/h5-11,13H,12H2,1-4H3,(H2,25,28)
InChIKeyLIPPCSHDIMAHEU-UHFFFAOYSA-N
XLogP4.83
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethyl-3-pyridinyl)oxy]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-[(2,4-dimethyl-3-pyridinyl)oxy]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide (CID 175768406) is 2-[(2,4-dimethyl-3-pyridinyl)oxy]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(2,4-dimethyl-3-pyridinyl)oxy]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[(2,4-dimethyl-3-pyridinyl)oxy]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide is Cc1ccnc(C)c1Oc1nc(-c2cc(F)cc(OCC(C)C)c2)ccc1C(N)=O.
What is the InChIKey of 2-[(2,4-dimethyl-3-pyridinyl)oxy]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is LIPPCSHDIMAHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3/c1-13(2)12-29-18-10-16(9-17(24)11-18)20-6-5-19(22(25)28)23(27-20)30-21-14(3)7-8-26-15(21)4/h5-11,13H,12H2,1-4H3,(H2,25,28).
What are the key properties of 2-[(2,4-dimethyl-3-pyridinyl)oxy]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?
2-[(2,4-dimethyl-3-pyridinyl)oxy]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 409.46 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethyl-3-pyridinyl)oxy]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 175768406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).