ethyl 2-(difluoromethyl)-5-[[(1-methylcyclopropanecarbonyl)amino]methyl]pyridine-3-carboxylate

C15H18F2N2O3 — CID 118466710

IUPACethyl 2-(difluoromethyl)-5-[[(1-methylcyclopropanecarbonyl)amino]methyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(CNC(=O)C2(C)CC2)cnc1C(F)F
InChIInChI=1S/C15H18F2N2O3/c1-3-22-13(20)10-6-9(7-18-11(10)12(16)17)8-19-14(21)15(2)4-5-15/h6-7,12H,3-5,8H2,1-2H3,(H,19,21)
InChIKeyQUOGHDJOZUYKDD-UHFFFAOYSA-N
MW312.32 g/mol
LogP2.61
Rot. Bonds6

About ethyl 2-(difluoromethyl)-5-[[(1-methylcyclopropanecarbonyl)amino]methyl]pyridine-3-carboxylate

ethyl 2-(difluoromethyl)-5-[[(1-methylcyclopropanecarbonyl)amino]methyl]pyridine-3-carboxylate (PubChem CID 118466710) has the molecular formula C15H18F2N2O3 and a molecular weight of 312.32 g/mol. Its IUPAC name is ethyl 2-(difluoromethyl)-5-[[(1-methylcyclopropanecarbonyl)amino]methyl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(difluoromethyl)-5-[[(1-methylcyclopropanecarbonyl)amino]methyl]pyridine-3-carboxylate
PubChem CID118466710
Molecular FormulaC15H18F2N2O3
Molecular Weight312.32 g/mol
Exact Mass312.13
IUPAC Nameethyl 2-(difluoromethyl)-5-[[(1-methylcyclopropanecarbonyl)amino]methyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(CNC(=O)C2(C)CC2)cnc1C(F)F
InChIInChI=1S/C15H18F2N2O3/c1-3-22-13(20)10-6-9(7-18-11(10)12(16)17)8-19-14(21)15(2)4-5-15/h6-7,12H,3-5,8H2,1-2H3,(H,19,21)
InChIKeyQUOGHDJOZUYKDD-UHFFFAOYSA-N
XLogP2.61
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-(bromomethyl)-2-(difluoromethyl)pyridine-3-carboxylate
CID 130098245
ethyl 4-bromo-6-(difluoromethyl)-5-fluoropyridine-3-carboxylate
CID 134674253
ethyl 6-(difluoromethyl)-5-hydroxy-4-methoxypyridine-3-carboxylate
CID 133103473
ethyl 6-(difluoromethyl)-4-fluoropyridine-3-carboxylate
CID 133091151
ethyl 5-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-3-carboxylate
CID 134674227
ethyl 2-(difluoromethyl)-5-[3-(difluoromethyl)-4-fluorophenyl]pyridine-3-carboxylate
CID 155385717
ethyl 2-[[(2-chloroacetyl)amino]methyl]-4-(difluoromethyl)pyrimidine-5-carboxylate
CID 167799212
ethyl 2-(aminomethyl)-4-(difluoromethyl)pyrimidine-5-carboxylate
CID 138991320
ethyl 5-chloro-4-cyano-6-(difluoromethyl)pyridine-3-carboxylate
CID 134674110
ethyl 4-chloro-6-(difluoromethyl)pyridine-3-carboxylate
CID 133088345
ethyl 2-amino-5-ethylpyridine-3-carboxylate
CID 155887465
ethyl 2-[[1-[(4-methoxyphenyl)methylcarbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 108976392

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(difluoromethyl)-5-[[(1-methylcyclopropanecarbonyl)amino]methyl]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-(difluoromethyl)-5-[[(1-methylcyclopropanecarbonyl)amino]methyl]pyridine-3-carboxylate (CID 118466710) is ethyl 2-(difluoromethyl)-5-[[(1-methylcyclopropanecarbonyl)amino]methyl]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(difluoromethyl)-5-[[(1-methylcyclopropanecarbonyl)amino]methyl]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(difluoromethyl)-5-[[(1-methylcyclopropanecarbonyl)amino]methyl]pyridine-3-carboxylate is CCOC(=O)c1cc(CNC(=O)C2(C)CC2)cnc1C(F)F.
What is the InChIKey of ethyl 2-(difluoromethyl)-5-[[(1-methylcyclopropanecarbonyl)amino]methyl]pyridine-3-carboxylate?
The InChIKey is QUOGHDJOZUYKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O3/c1-3-22-13(20)10-6-9(7-18-11(10)12(16)17)8-19-14(21)15(2)4-5-15/h6-7,12H,3-5,8H2,1-2H3,(H,19,21).
What are the key properties of ethyl 2-(difluoromethyl)-5-[[(1-methylcyclopropanecarbonyl)amino]methyl]pyridine-3-carboxylate?
ethyl 2-(difluoromethyl)-5-[[(1-methylcyclopropanecarbonyl)amino]methyl]pyridine-3-carboxylate has a molecular weight of 312.32 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(difluoromethyl)-5-[[(1-methylcyclopropanecarbonyl)amino]methyl]pyridine-3-carboxylate is sourced from PubChem (CID 118466710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).