methyl 6-acetamido-4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]pyridine-3-carboxylate

C17H19F2N5O3 — CID 170730408

IUPACmethyl 6-acetamido-4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]pyridine-3-carboxylate
SMILESCCc1cc(Nc2cc(NC(C)=O)ncc2C(=O)OC)nc(C(C)(F)F)n1
InChIInChI=1S/C17H19F2N5O3/c1-5-10-6-14(24-16(22-10)17(3,18)19)23-12-7-13(21-9(2)25)20-8-11(12)15(26)27-4/h6-8H,5H2,1-4H3,(H2,20,21,22,23,24,25)
InChIKeyIGNUHJSXCJPRQI-UHFFFAOYSA-N
MW379.37 g/mol
LogP3.03
Rot. Bonds6

About methyl 6-acetamido-4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]pyridine-3-carboxylate

methyl 6-acetamido-4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]pyridine-3-carboxylate (PubChem CID 170730408) has the molecular formula C17H19F2N5O3 and a molecular weight of 379.37 g/mol. Its IUPAC name is methyl 6-acetamido-4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-acetamido-4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]pyridine-3-carboxylate
PubChem CID170730408
Molecular FormulaC17H19F2N5O3
Molecular Weight379.37 g/mol
Exact Mass379.15
IUPAC Namemethyl 6-acetamido-4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]pyridine-3-carboxylate
SMILESCCc1cc(Nc2cc(NC(C)=O)ncc2C(=O)OC)nc(C(C)(F)F)n1
InChIInChI=1S/C17H19F2N5O3/c1-5-10-6-14(24-16(22-10)17(3,18)19)23-12-7-13(21-9(2)25)20-8-11(12)15(26)27-4/h6-8H,5H2,1-4H3,(H2,20,21,22,23,24,25)
InChIKeyIGNUHJSXCJPRQI-UHFFFAOYSA-N
XLogP3.03
TPSA106.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 6-acetamido-4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]pyridine-3-carboxylate?
The IUPAC name of methyl 6-acetamido-4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]pyridine-3-carboxylate (CID 170730408) is methyl 6-acetamido-4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-acetamido-4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-acetamido-4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]pyridine-3-carboxylate is CCc1cc(Nc2cc(NC(C)=O)ncc2C(=O)OC)nc(C(C)(F)F)n1.
What is the InChIKey of methyl 6-acetamido-4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]pyridine-3-carboxylate?
The InChIKey is IGNUHJSXCJPRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N5O3/c1-5-10-6-14(24-16(22-10)17(3,18)19)23-12-7-13(21-9(2)25)20-8-11(12)15(26)27-4/h6-8H,5H2,1-4H3,(H2,20,21,22,23,24,25).
What are the key properties of methyl 6-acetamido-4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]pyridine-3-carboxylate?
methyl 6-acetamido-4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]pyridine-3-carboxylate has a molecular weight of 379.37 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-acetamido-4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 170730408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).