3-(2,2-difluoroethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyridine-2-carboxamide

C16H23F2N3O3 — CID 120889975

IUPAC3-(2,2-difluoroethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyridine-2-carboxamide
SMILESCOCC1(CNC(=O)c2ncccc2OCC(F)F)CCNCC1
InChIInChI=1S/C16H23F2N3O3/c1-23-11-16(4-7-19-8-5-16)10-21-15(22)14-12(3-2-6-20-14)24-9-13(17)18/h2-3,6,13,19H,4-5,7-11H2,1H3,(H,21,22)
InChIKeyLXBVACOFTQUQQT-UHFFFAOYSA-N
MW343.37 g/mol
LogP1.47
Rot. Bonds8

About 3-(2,2-difluoroethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyridine-2-carboxamide

3-(2,2-difluoroethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyridine-2-carboxamide (PubChem CID 120889975) has the molecular formula C16H23F2N3O3 and a molecular weight of 343.37 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyridine-2-carboxamide
PubChem CID120889975
Molecular FormulaC16H23F2N3O3
Molecular Weight343.37 g/mol
Exact Mass343.17
IUPAC Name3-(2,2-difluoroethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyridine-2-carboxamide
SMILESCOCC1(CNC(=O)c2ncccc2OCC(F)F)CCNCC1
InChIInChI=1S/C16H23F2N3O3/c1-23-11-16(4-7-19-8-5-16)10-21-15(22)14-12(3-2-6-20-14)24-9-13(17)18/h2-3,6,13,19H,4-5,7-11H2,1H3,(H,21,22)
InChIKeyLXBVACOFTQUQQT-UHFFFAOYSA-N
XLogP1.47
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(2,2-difluoroethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyridine-2-carboxamide with MolForge

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-propan-2-yloxypyridine-2-carboxamide;dihydrochloride
CID 120888008
4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890009
2-(difluoromethylsulfanyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888588
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888662
3-(2,2-difluoroethoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide
CID 120811361
3-(2,2-difluoroethoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide;dihydrochloride
CID 120811360
6-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]quinoline-8-carboxamide
CID 120890313
2-(difluoromethoxy)-4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890029
2-(2-fluoroanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyridine-3-carboxamide;dihydrochloride
CID 120890702
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(2-methylpropoxy)benzamide;hydrochloride
CID 120890902
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-morpholin-4-ylpyridine-3-carboxamide;dihydrochloride
CID 120890644
2-chloro-6-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120891144

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyridine-2-carboxamide (CID 120889975) is 3-(2,2-difluoroethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyridine-2-carboxamide is COCC1(CNC(=O)c2ncccc2OCC(F)F)CCNCC1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyridine-2-carboxamide?
The InChIKey is LXBVACOFTQUQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N3O3/c1-23-11-16(4-7-19-8-5-16)10-21-15(22)14-12(3-2-6-20-14)24-9-13(17)18/h2-3,6,13,19H,4-5,7-11H2,1H3,(H,21,22).
What are the key properties of 3-(2,2-difluoroethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyridine-2-carboxamide?
3-(2,2-difluoroethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyridine-2-carboxamide has a molecular weight of 343.37 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 120889975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).