2-[1-[3-(difluoromethoxy)phenyl]ethylamino]-N-methylpyridine-3-carboxamide

C16H17F2N3O2 — CID 133316843

IUPAC2-[1-[3-(difluoromethoxy)phenyl]ethylamino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1NC(C)c1cccc(OC(F)F)c1
InChIInChI=1S/C16H17F2N3O2/c1-10(11-5-3-6-12(9-11)23-16(17)18)21-14-13(15(22)19-2)7-4-8-20-14/h3-10,16H,1-2H3,(H,19,22)(H,20,21)
InChIKeyOHQDSUAKHNNYOK-UHFFFAOYSA-N
MW321.33 g/mol
LogP3.22
Rot. Bonds6

About 2-[1-[3-(difluoromethoxy)phenyl]ethylamino]-N-methylpyridine-3-carboxamide

2-[1-[3-(difluoromethoxy)phenyl]ethylamino]-N-methylpyridine-3-carboxamide (PubChem CID 133316843) has the molecular formula C16H17F2N3O2 and a molecular weight of 321.33 g/mol. Its IUPAC name is 2-[1-[3-(difluoromethoxy)phenyl]ethylamino]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[1-[3-(difluoromethoxy)phenyl]ethylamino]-N-methylpyridine-3-carboxamide
PubChem CID133316843
Molecular FormulaC16H17F2N3O2
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Name2-[1-[3-(difluoromethoxy)phenyl]ethylamino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1NC(C)c1cccc(OC(F)F)c1
InChIInChI=1S/C16H17F2N3O2/c1-10(11-5-3-6-12(9-11)23-16(17)18)21-14-13(15(22)19-2)7-4-8-20-14/h3-10,16H,1-2H3,(H,19,22)(H,20,21)
InChIKeyOHQDSUAKHNNYOK-UHFFFAOYSA-N
XLogP3.22
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[3-(difluoromethoxy)phenyl]ethyl]quinoline-6-carboxamide
CID 154858888
2-[1-(3-chlorophenyl)ethylamino]pyridine-3-carboxylic acid
CID 60655016
2-(difluoromethylsulfanyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]pyridine-3-carboxamide
CID 55717744
4-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56563120
N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-3-methylbut-2-enamide
CID 94117441
N-[1-[3-(difluoromethoxy)phenyl]ethyl]but-2-enamide
CID 112727974
3-(difluoromethoxy)-N-(3-methyl-2-pyridinyl)benzamide
CID 35032050
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 63048536
methyl 2-[1-(4-methoxyphenyl)ethylamino]pyridine-3-carboxylate
CID 66242631
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,5-dimethylbenzamide
CID 42961731
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55776871
[3-[1-[3-(difluoromethoxy)phenyl]ethylamino]phenyl]methanol
CID 43714977

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(difluoromethoxy)phenyl]ethylamino]-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-[1-[3-(difluoromethoxy)phenyl]ethylamino]-N-methylpyridine-3-carboxamide (CID 133316843) is 2-[1-[3-(difluoromethoxy)phenyl]ethylamino]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-[1-[3-(difluoromethoxy)phenyl]ethylamino]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-[1-[3-(difluoromethoxy)phenyl]ethylamino]-N-methylpyridine-3-carboxamide is CNC(=O)c1cccnc1NC(C)c1cccc(OC(F)F)c1.
What is the InChIKey of 2-[1-[3-(difluoromethoxy)phenyl]ethylamino]-N-methylpyridine-3-carboxamide?
The InChIKey is OHQDSUAKHNNYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O2/c1-10(11-5-3-6-12(9-11)23-16(17)18)21-14-13(15(22)19-2)7-4-8-20-14/h3-10,16H,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 2-[1-[3-(difluoromethoxy)phenyl]ethylamino]-N-methylpyridine-3-carboxamide?
2-[1-[3-(difluoromethoxy)phenyl]ethylamino]-N-methylpyridine-3-carboxamide has a molecular weight of 321.33 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(difluoromethoxy)phenyl]ethylamino]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 133316843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).