4-N-[1-[3-(1,1-difluoroethoxy)phenyl]ethyl]-2-N-ethyl-6-methylpyridine-2,4-dicarboxamide

C20H23F2N3O3 — CID 162566171

IUPAC4-N-[1-[3-(1,1-difluoroethoxy)phenyl]ethyl]-2-N-ethyl-6-methylpyridine-2,4-dicarboxamide
SMILESCCNC(=O)c1cc(C(=O)NC(C)c2cccc(OC(C)(F)F)c2)cc(C)n1
InChIInChI=1S/C20H23F2N3O3/c1-5-23-19(27)17-11-15(9-12(2)24-17)18(26)25-13(3)14-7-6-8-16(10-14)28-20(4,21)22/h6-11,13H,5H2,1-4H3,(H,23,27)(H,25,26)
InChIKeyBJXRDKVTESWVSJ-UHFFFAOYSA-N
MW391.42 g/mol
LogP3.62
Rot. Bonds7

About 4-N-[1-[3-(1,1-difluoroethoxy)phenyl]ethyl]-2-N-ethyl-6-methylpyridine-2,4-dicarboxamide

4-N-[1-[3-(1,1-difluoroethoxy)phenyl]ethyl]-2-N-ethyl-6-methylpyridine-2,4-dicarboxamide (PubChem CID 162566171) has the molecular formula C20H23F2N3O3 and a molecular weight of 391.42 g/mol. Its IUPAC name is 4-N-[1-[3-(1,1-difluoroethoxy)phenyl]ethyl]-2-N-ethyl-6-methylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[1-[3-(1,1-difluoroethoxy)phenyl]ethyl]-2-N-ethyl-6-methylpyridine-2,4-dicarboxamide
PubChem CID162566171
Molecular FormulaC20H23F2N3O3
Molecular Weight391.42 g/mol
Exact Mass391.17
IUPAC Name4-N-[1-[3-(1,1-difluoroethoxy)phenyl]ethyl]-2-N-ethyl-6-methylpyridine-2,4-dicarboxamide
SMILESCCNC(=O)c1cc(C(=O)NC(C)c2cccc(OC(C)(F)F)c2)cc(C)n1
InChIInChI=1S/C20H23F2N3O3/c1-5-23-19(27)17-11-15(9-12(2)24-17)18(26)25-13(3)14-7-6-8-16(10-14)28-20(4,21)22/h6-11,13H,5H2,1-4H3,(H,23,27)(H,25,26)
InChIKeyBJXRDKVTESWVSJ-UHFFFAOYSA-N
XLogP3.62
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-cyclopropyl-2-oxoethyl)-6-methyl-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyridine-4-carboxamide
CID 159988317
2-methyl-N-[1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]pyridine-4-carboxamide
CID 160840469
N-[1-[3-(1,1-difluoroethoxy)phenyl]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 162566129
2-methyl-6-(2-methylpropanoylamino)-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyridine-4-carboxamide
CID 67508998
2-(2-cyclopropyl-2-oxoethyl)-6-methyl-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide
CID 162025687
butan-2-amine;N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyridine-4-carboxamide
CID 171931063
4-(2,6-dimethyl-4-pyridinyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
CID 68511029
6-methyl-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrazine-2-carboxamide
CID 174811246
2-(ethylamino)-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrimidine-4-carboxamide
CID 151094917
3-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-fluorobenzamide
CID 55710254
6-[methyl(propyl)amino]-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide
CID 174811478
(3R)-3-hydroxy-4,4-dimethyl-N-[(1S)-1-[3-(trifluoromethoxy)phenyl]ethyl]pentanamide;(3S)-3-hydroxy-4,4-dimethyl-N-[(1S)-1-[3-(trifluoromethoxy)phenyl]ethyl]pentanamide;3-hydroxy-4,4-dimethyl-N-[(1S)-1-[3-(trifluoromethoxy)phenyl]ethyl]pentanamide
CID 157286212

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-[3-(1,1-difluoroethoxy)phenyl]ethyl]-2-N-ethyl-6-methylpyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-[1-[3-(1,1-difluoroethoxy)phenyl]ethyl]-2-N-ethyl-6-methylpyridine-2,4-dicarboxamide (CID 162566171) is 4-N-[1-[3-(1,1-difluoroethoxy)phenyl]ethyl]-2-N-ethyl-6-methylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-[1-[3-(1,1-difluoroethoxy)phenyl]ethyl]-2-N-ethyl-6-methylpyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-[1-[3-(1,1-difluoroethoxy)phenyl]ethyl]-2-N-ethyl-6-methylpyridine-2,4-dicarboxamide is CCNC(=O)c1cc(C(=O)NC(C)c2cccc(OC(C)(F)F)c2)cc(C)n1.
What is the InChIKey of 4-N-[1-[3-(1,1-difluoroethoxy)phenyl]ethyl]-2-N-ethyl-6-methylpyridine-2,4-dicarboxamide?
The InChIKey is BJXRDKVTESWVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O3/c1-5-23-19(27)17-11-15(9-12(2)24-17)18(26)25-13(3)14-7-6-8-16(10-14)28-20(4,21)22/h6-11,13H,5H2,1-4H3,(H,23,27)(H,25,26).
What are the key properties of 4-N-[1-[3-(1,1-difluoroethoxy)phenyl]ethyl]-2-N-ethyl-6-methylpyridine-2,4-dicarboxamide?
4-N-[1-[3-(1,1-difluoroethoxy)phenyl]ethyl]-2-N-ethyl-6-methylpyridine-2,4-dicarboxamide has a molecular weight of 391.42 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-[3-(1,1-difluoroethoxy)phenyl]ethyl]-2-N-ethyl-6-methylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 162566171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).