3-(2,2-difluoroethoxy)-N-(1-ethylpiperidin-4-yl)pyridine-2-carboxamide

C15H21F2N3O2 — CID 75369663

IUPAC3-(2,2-difluoroethoxy)-N-(1-ethylpiperidin-4-yl)pyridine-2-carboxamide
SMILESCCN1CCC(NC(=O)c2ncccc2OCC(F)F)CC1
InChIInChI=1S/C15H21F2N3O2/c1-2-20-8-5-11(6-9-20)19-15(21)14-12(4-3-7-18-14)22-10-13(16)17/h3-4,7,11,13H,2,5-6,8-10H2,1H3,(H,19,21)
InChIKeyKQYZVOYWGUUPAU-UHFFFAOYSA-N
MW313.35 g/mol
LogP1.94
Rot. Bonds6

About 3-(2,2-difluoroethoxy)-N-(1-ethylpiperidin-4-yl)pyridine-2-carboxamide

3-(2,2-difluoroethoxy)-N-(1-ethylpiperidin-4-yl)pyridine-2-carboxamide (PubChem CID 75369663) has the molecular formula C15H21F2N3O2 and a molecular weight of 313.35 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-(1-ethylpiperidin-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-(1-ethylpiperidin-4-yl)pyridine-2-carboxamide
PubChem CID75369663
Molecular FormulaC15H21F2N3O2
Molecular Weight313.35 g/mol
Exact Mass313.16
IUPAC Name3-(2,2-difluoroethoxy)-N-(1-ethylpiperidin-4-yl)pyridine-2-carboxamide
SMILESCCN1CCC(NC(=O)c2ncccc2OCC(F)F)CC1
InChIInChI=1S/C15H21F2N3O2/c1-2-20-8-5-11(6-9-20)19-15(21)14-12(4-3-7-18-14)22-10-13(16)17/h3-4,7,11,13H,2,5-6,8-10H2,1H3,(H,19,21)
InChIKeyKQYZVOYWGUUPAU-UHFFFAOYSA-N
XLogP1.94
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethylpiperidin-4-yl)-3-(methylsulfanylmethyl)pyridine-2-carboxamide
CID 146089271
3-amino-N-(1-ethylpiperidin-4-yl)pyrazine-2-carboxamide
CID 30768284
N-(1-ethylpiperidin-4-yl)pyridine-2-carboxamide
CID 69401322
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2-methoxyethoxy)pyridine-3-carboxamide
CID 49072325
3-(2,2-difluoroethoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide
CID 120811361
N-(1-ethylpiperidin-4-yl)pyridine-4-carboxamide
CID 17249927
3-(2,2-difluoroethoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide;dihydrochloride
CID 120811360
N-[1-(cyanomethyl)piperidin-4-yl]-3-methylpyridine-2-carboxamide
CID 63627666
2-[(1-acetylpiperidin-4-yl)carbamoyl]pyridine-3-carboxylic acid
CID 63616571
3-fluoro-N-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]pyridine-2-carboxamide
CID 175659254
N-(1-ethylpiperidin-4-yl)-1-phenyl-4-propoxypyrazole-3-carboxamide
CID 138996163
N-(1-ethylpiperidin-4-yl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide
CID 138033986

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-(1-ethylpiperidin-4-yl)pyridine-2-carboxamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-(1-ethylpiperidin-4-yl)pyridine-2-carboxamide (CID 75369663) is 3-(2,2-difluoroethoxy)-N-(1-ethylpiperidin-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-(1-ethylpiperidin-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-(1-ethylpiperidin-4-yl)pyridine-2-carboxamide is CCN1CCC(NC(=O)c2ncccc2OCC(F)F)CC1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-(1-ethylpiperidin-4-yl)pyridine-2-carboxamide?
The InChIKey is KQYZVOYWGUUPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O2/c1-2-20-8-5-11(6-9-20)19-15(21)14-12(4-3-7-18-14)22-10-13(16)17/h3-4,7,11,13H,2,5-6,8-10H2,1H3,(H,19,21).
What are the key properties of 3-(2,2-difluoroethoxy)-N-(1-ethylpiperidin-4-yl)pyridine-2-carboxamide?
3-(2,2-difluoroethoxy)-N-(1-ethylpiperidin-4-yl)pyridine-2-carboxamide has a molecular weight of 313.35 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-(1-ethylpiperidin-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 75369663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).