3-fluoro-N,N-dimethyl-5-[3-(6-oxo-1H-pyrimidin-2-yl)-5-propan-2-yloxyphenoxy]pyridine-2-carboxamide

C21H21FN4O4 — CID 54767786

IUPAC3-fluoro-N,N-dimethyl-5-[3-(6-oxo-1H-pyrimidin-2-yl)-5-propan-2-yloxyphenoxy]pyridine-2-carboxamide
SMILESCC(C)Oc1cc(Oc2cnc(C(=O)N(C)C)c(F)c2)cc(-c2nccc(=O)[nH]2)c1
InChIInChI=1S/C21H21FN4O4/c1-12(2)29-14-7-13(20-23-6-5-18(27)25-20)8-15(9-14)30-16-10-17(22)19(24-11-16)21(28)26(3)4/h5-12H,1-4H3,(H,23,25,27)
InChIKeyXXRSPMIUQRJYFO-UHFFFAOYSA-N
MW412.42 g/mol
LogP3.25
Rot. Bonds6

About 3-fluoro-N,N-dimethyl-5-[3-(6-oxo-1H-pyrimidin-2-yl)-5-propan-2-yloxyphenoxy]pyridine-2-carboxamide

3-fluoro-N,N-dimethyl-5-[3-(6-oxo-1H-pyrimidin-2-yl)-5-propan-2-yloxyphenoxy]pyridine-2-carboxamide (PubChem CID 54767786) has the molecular formula C21H21FN4O4 and a molecular weight of 412.42 g/mol. Its IUPAC name is 3-fluoro-N,N-dimethyl-5-[3-(6-oxo-1H-pyrimidin-2-yl)-5-propan-2-yloxyphenoxy]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-fluoro-N,N-dimethyl-5-[3-(6-oxo-1H-pyrimidin-2-yl)-5-propan-2-yloxyphenoxy]pyridine-2-carboxamide
PubChem CID54767786
Molecular FormulaC21H21FN4O4
Molecular Weight412.42 g/mol
Exact Mass412.15
IUPAC Name3-fluoro-N,N-dimethyl-5-[3-(6-oxo-1H-pyrimidin-2-yl)-5-propan-2-yloxyphenoxy]pyridine-2-carboxamide
SMILESCC(C)Oc1cc(Oc2cnc(C(=O)N(C)C)c(F)c2)cc(-c2nccc(=O)[nH]2)c1
InChIInChI=1S/C21H21FN4O4/c1-12(2)29-14-7-13(20-23-6-5-18(27)25-20)8-15(9-14)30-16-10-17(22)19(24-11-16)21(28)26(3)4/h5-12H,1-4H3,(H,23,25,27)
InChIKeyXXRSPMIUQRJYFO-UHFFFAOYSA-N
XLogP3.25
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.42
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N,N-dimethyl-5-[3-(6-oxo-1H-pyrimidin-2-yl)-5-propan-2-yloxyphenoxy]pyridine-2-carboxamide?
The IUPAC name of 3-fluoro-N,N-dimethyl-5-[3-(6-oxo-1H-pyrimidin-2-yl)-5-propan-2-yloxyphenoxy]pyridine-2-carboxamide (CID 54767786) is 3-fluoro-N,N-dimethyl-5-[3-(6-oxo-1H-pyrimidin-2-yl)-5-propan-2-yloxyphenoxy]pyridine-2-carboxamide.
What is the SMILES notation for 3-fluoro-N,N-dimethyl-5-[3-(6-oxo-1H-pyrimidin-2-yl)-5-propan-2-yloxyphenoxy]pyridine-2-carboxamide?
The canonical SMILES for 3-fluoro-N,N-dimethyl-5-[3-(6-oxo-1H-pyrimidin-2-yl)-5-propan-2-yloxyphenoxy]pyridine-2-carboxamide is CC(C)Oc1cc(Oc2cnc(C(=O)N(C)C)c(F)c2)cc(-c2nccc(=O)[nH]2)c1.
What is the InChIKey of 3-fluoro-N,N-dimethyl-5-[3-(6-oxo-1H-pyrimidin-2-yl)-5-propan-2-yloxyphenoxy]pyridine-2-carboxamide?
The InChIKey is XXRSPMIUQRJYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O4/c1-12(2)29-14-7-13(20-23-6-5-18(27)25-20)8-15(9-14)30-16-10-17(22)19(24-11-16)21(28)26(3)4/h5-12H,1-4H3,(H,23,25,27).
What are the key properties of 3-fluoro-N,N-dimethyl-5-[3-(6-oxo-1H-pyrimidin-2-yl)-5-propan-2-yloxyphenoxy]pyridine-2-carboxamide?
3-fluoro-N,N-dimethyl-5-[3-(6-oxo-1H-pyrimidin-2-yl)-5-propan-2-yloxyphenoxy]pyridine-2-carboxamide has a molecular weight of 412.42 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N,N-dimethyl-5-[3-(6-oxo-1H-pyrimidin-2-yl)-5-propan-2-yloxyphenoxy]pyridine-2-carboxamide is sourced from PubChem (CID 54767786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).