6-(difluoromethoxy)-N-[(4-ethoxy-5-fluoro-3-pyridinyl)methyl]-5-fluoropyridine-3-carboxamide

C15H13F4N3O3 — CID 166012076

IUPAC6-(difluoromethoxy)-N-[(4-ethoxy-5-fluoro-3-pyridinyl)methyl]-5-fluoropyridine-3-carboxamide
SMILESCCOc1c(F)cncc1CNC(=O)c1cnc(OC(F)F)c(F)c1
InChIInChI=1S/C15H13F4N3O3/c1-2-24-12-9(4-20-7-11(12)17)6-21-13(23)8-3-10(16)14(22-5-8)25-15(18)19/h3-5,7,15H,2,6H2,1H3,(H,21,23)
InChIKeyWRDCYLSINGQQQH-UHFFFAOYSA-N
MW359.28 g/mol
LogP2.68
Rot. Bonds7

About 6-(difluoromethoxy)-N-[(4-ethoxy-5-fluoro-3-pyridinyl)methyl]-5-fluoropyridine-3-carboxamide

6-(difluoromethoxy)-N-[(4-ethoxy-5-fluoro-3-pyridinyl)methyl]-5-fluoropyridine-3-carboxamide (PubChem CID 166012076) has the molecular formula C15H13F4N3O3 and a molecular weight of 359.28 g/mol. Its IUPAC name is 6-(difluoromethoxy)-N-[(4-ethoxy-5-fluoro-3-pyridinyl)methyl]-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound Name6-(difluoromethoxy)-N-[(4-ethoxy-5-fluoro-3-pyridinyl)methyl]-5-fluoropyridine-3-carboxamide
PubChem CID166012076
Molecular FormulaC15H13F4N3O3
Molecular Weight359.28 g/mol
Exact Mass359.09
IUPAC Name6-(difluoromethoxy)-N-[(4-ethoxy-5-fluoro-3-pyridinyl)methyl]-5-fluoropyridine-3-carboxamide
SMILESCCOc1c(F)cncc1CNC(=O)c1cnc(OC(F)F)c(F)c1
InChIInChI=1S/C15H13F4N3O3/c1-2-24-12-9(4-20-7-11(12)17)6-21-13(23)8-3-10(16)14(22-5-8)25-15(18)19/h3-5,7,15H,2,6H2,1H3,(H,21,23)
InChIKeyWRDCYLSINGQQQH-UHFFFAOYSA-N
XLogP2.68
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.28
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(difluoromethoxy)-5-fluoro-N-[(5-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 166012081
N-[(5-bromo-2-methoxyphenyl)methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide
CID 154659672
N-[[4-(3,3-difluorocyclobutyl)pyrimidin-5-yl]methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide
CID 166012116
6-(difluoromethoxy)-5-fluoro-N-[(3-methyl-2H-indazol-4-yl)methyl]pyridine-3-carboxamide
CID 137453534
4-(difluoromethoxy)-3,5-difluoro-N-[(4-methoxypyrimidin-5-yl)methyl]benzamide
CID 166012158
6-(difluoromethoxy)-5-fluoro-N-[(5-methyltriazolo[1,5-b]pyridazin-3-yl)methyl]pyridine-3-carboxamide
CID 139532950
N-[(3-cyano-5-methoxyphenyl)methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide
CID 162392014
N-[(5-cyano-2-methylphenyl)methyl]-5-fluoro-6-(1-fluoroethoxy)pyridine-3-carboxamide
CID 166863644
5-N-(2-ethoxyphenyl)-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105558
6-(2,2-difluorocyclopropyl)-5-fluoro-N-[(5-fluoro-4-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 166012151
N-[(Z)-3-amino-4,4-difluoro-2-pyridazin-3-ylbut-2-enyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide
CID 153348287
4-(difluoromethyl)-3,5-difluoro-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 166012096

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethoxy)-N-[(4-ethoxy-5-fluoro-3-pyridinyl)methyl]-5-fluoropyridine-3-carboxamide?
The IUPAC name of 6-(difluoromethoxy)-N-[(4-ethoxy-5-fluoro-3-pyridinyl)methyl]-5-fluoropyridine-3-carboxamide (CID 166012076) is 6-(difluoromethoxy)-N-[(4-ethoxy-5-fluoro-3-pyridinyl)methyl]-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for 6-(difluoromethoxy)-N-[(4-ethoxy-5-fluoro-3-pyridinyl)methyl]-5-fluoropyridine-3-carboxamide?
The canonical SMILES for 6-(difluoromethoxy)-N-[(4-ethoxy-5-fluoro-3-pyridinyl)methyl]-5-fluoropyridine-3-carboxamide is CCOc1c(F)cncc1CNC(=O)c1cnc(OC(F)F)c(F)c1.
What is the InChIKey of 6-(difluoromethoxy)-N-[(4-ethoxy-5-fluoro-3-pyridinyl)methyl]-5-fluoropyridine-3-carboxamide?
The InChIKey is WRDCYLSINGQQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4N3O3/c1-2-24-12-9(4-20-7-11(12)17)6-21-13(23)8-3-10(16)14(22-5-8)25-15(18)19/h3-5,7,15H,2,6H2,1H3,(H,21,23).
What are the key properties of 6-(difluoromethoxy)-N-[(4-ethoxy-5-fluoro-3-pyridinyl)methyl]-5-fluoropyridine-3-carboxamide?
6-(difluoromethoxy)-N-[(4-ethoxy-5-fluoro-3-pyridinyl)methyl]-5-fluoropyridine-3-carboxamide has a molecular weight of 359.28 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethoxy)-N-[(4-ethoxy-5-fluoro-3-pyridinyl)methyl]-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 166012076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).