N-[[2-(difluoromethoxy)phenyl]methyl]-2-piperidin-1-ylpyridine-3-carboxamide

C19H21F2N3O2 — CID 86998055

IUPACN-[[2-(difluoromethoxy)phenyl]methyl]-2-piperidin-1-ylpyridine-3-carboxamide
SMILESO=C(NCc1ccccc1OC(F)F)c1cccnc1N1CCCCC1
InChIInChI=1S/C19H21F2N3O2/c20-19(21)26-16-9-3-2-7-14(16)13-23-18(25)15-8-6-10-22-17(15)24-11-4-1-5-12-24/h2-3,6-10,19H,1,4-5,11-13H2,(H,23,25)
InChIKeyJAQLYLDMGOGGTJ-UHFFFAOYSA-N
MW361.39 g/mol
LogP3.60
Rot. Bonds6

About N-[[2-(difluoromethoxy)phenyl]methyl]-2-piperidin-1-ylpyridine-3-carboxamide

N-[[2-(difluoromethoxy)phenyl]methyl]-2-piperidin-1-ylpyridine-3-carboxamide (PubChem CID 86998055) has the molecular formula C19H21F2N3O2 and a molecular weight of 361.39 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)phenyl]methyl]-2-piperidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)phenyl]methyl]-2-piperidin-1-ylpyridine-3-carboxamide
PubChem CID86998055
Molecular FormulaC19H21F2N3O2
Molecular Weight361.39 g/mol
Exact Mass361.16
IUPAC NameN-[[2-(difluoromethoxy)phenyl]methyl]-2-piperidin-1-ylpyridine-3-carboxamide
SMILESO=C(NCc1ccccc1OC(F)F)c1cccnc1N1CCCCC1
InChIInChI=1S/C19H21F2N3O2/c20-19(21)26-16-9-3-2-7-14(16)13-23-18(25)15-8-6-10-22-17(15)24-11-4-1-5-12-24/h2-3,6-10,19H,1,4-5,11-13H2,(H,23,25)
InChIKeyJAQLYLDMGOGGTJ-UHFFFAOYSA-N
XLogP3.60
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(difluoromethoxy)phenyl]methyl]-2-fluoropyridine-3-carboxamide
CID 107358541
2-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
CID 103754084
1-[[2-(difluoromethoxy)phenyl]methyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 86927668
N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 55755699
N-[2-(2-methoxyphenyl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 55757606
N-ethyl-2-piperidin-1-ylpyridine-3-carboxamide
CID 47231439
2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 84576958
N-[(2,4-dichlorophenyl)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 9403592
N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]imidazo[1,2-a]pyridine-8-carboxamide
CID 167957186
2-(difluoromethylsulfanyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide
CID 24551024
1-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111866017
N-[[3-(difluoromethoxy)phenyl]methyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 49336379

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-2-piperidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-2-piperidin-1-ylpyridine-3-carboxamide (CID 86998055) is N-[[2-(difluoromethoxy)phenyl]methyl]-2-piperidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[[2-(difluoromethoxy)phenyl]methyl]-2-piperidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-[[2-(difluoromethoxy)phenyl]methyl]-2-piperidin-1-ylpyridine-3-carboxamide is O=C(NCc1ccccc1OC(F)F)c1cccnc1N1CCCCC1.
What is the InChIKey of N-[[2-(difluoromethoxy)phenyl]methyl]-2-piperidin-1-ylpyridine-3-carboxamide?
The InChIKey is JAQLYLDMGOGGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O2/c20-19(21)26-16-9-3-2-7-14(16)13-23-18(25)15-8-6-10-22-17(15)24-11-4-1-5-12-24/h2-3,6-10,19H,1,4-5,11-13H2,(H,23,25).
What are the key properties of N-[[2-(difluoromethoxy)phenyl]methyl]-2-piperidin-1-ylpyridine-3-carboxamide?
N-[[2-(difluoromethoxy)phenyl]methyl]-2-piperidin-1-ylpyridine-3-carboxamide has a molecular weight of 361.39 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)phenyl]methyl]-2-piperidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 86998055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).