N-(2,6-difluorophenyl)-5-(6-ethoxy-4-methoxy-3-pyridinyl)pyrazolidine-3-carboxamide

C18H20F2N4O3 — CID 123714290

IUPACN-(2,6-difluorophenyl)-5-(6-ethoxy-4-methoxy-3-pyridinyl)pyrazolidine-3-carboxamide
SMILESCCOc1cc(OC)c(C2CC(C(=O)Nc3c(F)cccc3F)NN2)cn1
InChIInChI=1S/C18H20F2N4O3/c1-3-27-16-8-15(26-2)10(9-21-16)13-7-14(24-23-13)18(25)22-17-11(19)5-4-6-12(17)20/h4-6,8-9,13-14,23-24H,3,7H2,1-2H3,(H,22,25)
InChIKeyDXXXLTQBXYUSTF-UHFFFAOYSA-N
MW378.38 g/mol
LogP2.31
Rot. Bonds6

About N-(2,6-difluorophenyl)-5-(6-ethoxy-4-methoxy-3-pyridinyl)pyrazolidine-3-carboxamide

N-(2,6-difluorophenyl)-5-(6-ethoxy-4-methoxy-3-pyridinyl)pyrazolidine-3-carboxamide (PubChem CID 123714290) has the molecular formula C18H20F2N4O3 and a molecular weight of 378.38 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-5-(6-ethoxy-4-methoxy-3-pyridinyl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-5-(6-ethoxy-4-methoxy-3-pyridinyl)pyrazolidine-3-carboxamide
PubChem CID123714290
Molecular FormulaC18H20F2N4O3
Molecular Weight378.38 g/mol
Exact Mass378.15
IUPAC NameN-(2,6-difluorophenyl)-5-(6-ethoxy-4-methoxy-3-pyridinyl)pyrazolidine-3-carboxamide
SMILESCCOc1cc(OC)c(C2CC(C(=O)Nc3c(F)cccc3F)NN2)cn1
InChIInChI=1S/C18H20F2N4O3/c1-3-27-16-8-15(26-2)10(9-21-16)13-7-14(24-23-13)18(25)22-17-11(19)5-4-6-12(17)20/h4-6,8-9,13-14,23-24H,3,7H2,1-2H3,(H,22,25)
InChIKeyDXXXLTQBXYUSTF-UHFFFAOYSA-N
XLogP2.31
TPSA84.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-diethoxyphenyl)-5-(2,4-dimethoxyphenyl)pyrazolidine-3-carboxamide
CID 75254984
N-(2,6-difluorophenyl)-3-(6-ethoxy-4-methoxy-3-pyridinyl)-1H-pyrazole-5-carboxamide
CID 118130752
N-(2,5-difluorophenyl)-5-(2,4-dimethoxyphenyl)pyrazolidine-3-carboxamide
CID 75255014
N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75255278
N-(2,6-difluorophenyl)-5-(6-ethoxy-2-methyl-3-pyridinyl)-1-methylpyrazolidine-3-carboxamide
CID 123308132
N-(3,4-difluorophenyl)-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide
CID 75254832
5-(2,4-dimethoxyphenyl)-N-(2-methylphenyl)pyrazolidine-3-carboxamide
CID 75254961
5-(4-ethoxyphenyl)-N-(2-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75234255
N-(2-fluorophenyl)-5-(3-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75234366
1-N-(2,6-difluorophenyl)-2-N-(2-ethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143509
1-(2,6-difluorophenyl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891619
N-benzyl-5-(2,4-dimethoxyphenyl)pyrazolidine-3-carboxamide
CID 75283665

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-5-(6-ethoxy-4-methoxy-3-pyridinyl)pyrazolidine-3-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-5-(6-ethoxy-4-methoxy-3-pyridinyl)pyrazolidine-3-carboxamide (CID 123714290) is N-(2,6-difluorophenyl)-5-(6-ethoxy-4-methoxy-3-pyridinyl)pyrazolidine-3-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-5-(6-ethoxy-4-methoxy-3-pyridinyl)pyrazolidine-3-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-5-(6-ethoxy-4-methoxy-3-pyridinyl)pyrazolidine-3-carboxamide is CCOc1cc(OC)c(C2CC(C(=O)Nc3c(F)cccc3F)NN2)cn1.
What is the InChIKey of N-(2,6-difluorophenyl)-5-(6-ethoxy-4-methoxy-3-pyridinyl)pyrazolidine-3-carboxamide?
The InChIKey is DXXXLTQBXYUSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N4O3/c1-3-27-16-8-15(26-2)10(9-21-16)13-7-14(24-23-13)18(25)22-17-11(19)5-4-6-12(17)20/h4-6,8-9,13-14,23-24H,3,7H2,1-2H3,(H,22,25).
What are the key properties of N-(2,6-difluorophenyl)-5-(6-ethoxy-4-methoxy-3-pyridinyl)pyrazolidine-3-carboxamide?
N-(2,6-difluorophenyl)-5-(6-ethoxy-4-methoxy-3-pyridinyl)pyrazolidine-3-carboxamide has a molecular weight of 378.38 g/mol, XLogP of 2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-5-(6-ethoxy-4-methoxy-3-pyridinyl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 123714290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).