N-(2,6-difluorophenyl)-5-(6-ethoxy-2-methyl-3-pyridinyl)-1-methylpyrazolidine-3-carboxamide

C19H22F2N4O2 — CID 123308132

IUPACN-(2,6-difluorophenyl)-5-(6-ethoxy-2-methyl-3-pyridinyl)-1-methylpyrazolidine-3-carboxamide
SMILESCCOc1ccc(C2CC(C(=O)Nc3c(F)cccc3F)NN2C)c(C)n1
InChIInChI=1S/C19H22F2N4O2/c1-4-27-17-9-8-12(11(2)22-17)16-10-15(24-25(16)3)19(26)23-18-13(20)6-5-7-14(18)21/h5-9,15-16,24H,4,10H2,1-3H3,(H,23,26)
InChIKeyLSPIBQYRCNXRAJ-UHFFFAOYSA-N
MW376.41 g/mol
LogP2.96
Rot. Bonds5

About N-(2,6-difluorophenyl)-5-(6-ethoxy-2-methyl-3-pyridinyl)-1-methylpyrazolidine-3-carboxamide

N-(2,6-difluorophenyl)-5-(6-ethoxy-2-methyl-3-pyridinyl)-1-methylpyrazolidine-3-carboxamide (PubChem CID 123308132) has the molecular formula C19H22F2N4O2 and a molecular weight of 376.41 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-5-(6-ethoxy-2-methyl-3-pyridinyl)-1-methylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-5-(6-ethoxy-2-methyl-3-pyridinyl)-1-methylpyrazolidine-3-carboxamide
PubChem CID123308132
Molecular FormulaC19H22F2N4O2
Molecular Weight376.41 g/mol
Exact Mass376.17
IUPAC NameN-(2,6-difluorophenyl)-5-(6-ethoxy-2-methyl-3-pyridinyl)-1-methylpyrazolidine-3-carboxamide
SMILESCCOc1ccc(C2CC(C(=O)Nc3c(F)cccc3F)NN2C)c(C)n1
InChIInChI=1S/C19H22F2N4O2/c1-4-27-17-9-8-12(11(2)22-17)16-10-15(24-25(16)3)19(26)23-18-13(20)6-5-7-14(18)21/h5-9,15-16,24H,4,10H2,1-3H3,(H,23,26)
InChIKeyLSPIBQYRCNXRAJ-UHFFFAOYSA-N
XLogP2.96
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-difluorophenyl)-5-(6-ethoxy-4-methoxy-3-pyridinyl)pyrazolidine-3-carboxamide
CID 123714290
1-N-(2,6-difluorophenyl)-2-N-(2-ethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143509
N-(6-ethoxy-2-methyl-3-pyridinyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide
CID 100769710
N-(2,6-difluorophenyl)-3-(6-ethoxy-5-fluoro-4-methyl-3-pyridinyl)-2-methyl-1,5-dihydropyrazole-5-carboxamide
CID 123891426
N-(2,6-difluorophenyl)-4-ethylpiperidine-2-carboxamide
CID 114428002
N-(2,6-difluorophenyl)cyclopropanecarboxamide
CID 60631276
ethyl 2-[[2-[(2,6-difluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109144216
1-N-(2,6-difluorophenyl)-2-N-(2-ethyl-6-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142279
N-(2,6-difluorophenyl)pyrrolidine-2-carboxamide
CID 43124050
N-(2,6-difluorophenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134311
2-amino-N-(2,6-difluorophenyl)cyclopropane-1-carboxamide
CID 82235722
N-(6-ethoxy-2-pyridinyl)-1-methylpiperidine-2-carboxamide
CID 167884113

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-5-(6-ethoxy-2-methyl-3-pyridinyl)-1-methylpyrazolidine-3-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-5-(6-ethoxy-2-methyl-3-pyridinyl)-1-methylpyrazolidine-3-carboxamide (CID 123308132) is N-(2,6-difluorophenyl)-5-(6-ethoxy-2-methyl-3-pyridinyl)-1-methylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-5-(6-ethoxy-2-methyl-3-pyridinyl)-1-methylpyrazolidine-3-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-5-(6-ethoxy-2-methyl-3-pyridinyl)-1-methylpyrazolidine-3-carboxamide is CCOc1ccc(C2CC(C(=O)Nc3c(F)cccc3F)NN2C)c(C)n1.
What is the InChIKey of N-(2,6-difluorophenyl)-5-(6-ethoxy-2-methyl-3-pyridinyl)-1-methylpyrazolidine-3-carboxamide?
The InChIKey is LSPIBQYRCNXRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N4O2/c1-4-27-17-9-8-12(11(2)22-17)16-10-15(24-25(16)3)19(26)23-18-13(20)6-5-7-14(18)21/h5-9,15-16,24H,4,10H2,1-3H3,(H,23,26).
What are the key properties of N-(2,6-difluorophenyl)-5-(6-ethoxy-2-methyl-3-pyridinyl)-1-methylpyrazolidine-3-carboxamide?
N-(2,6-difluorophenyl)-5-(6-ethoxy-2-methyl-3-pyridinyl)-1-methylpyrazolidine-3-carboxamide has a molecular weight of 376.41 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-5-(6-ethoxy-2-methyl-3-pyridinyl)-1-methylpyrazolidine-3-carboxamide is sourced from PubChem (CID 123308132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).