N-(3,5-difluorophenyl)-2-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]acetamide

C16H17F2N3O2 — CID 84593889

IUPACN-(3,5-difluorophenyl)-2-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]acetamide
SMILESCc1ccc(O)c(CN(C)CC(=O)Nc2cc(F)cc(F)c2)n1
InChIInChI=1S/C16H17F2N3O2/c1-10-3-4-15(22)14(19-10)8-21(2)9-16(23)20-13-6-11(17)5-12(18)7-13/h3-7,22H,8-9H2,1-2H3,(H,20,23)
InChIKeyXLLRVMVBQZMOGA-UHFFFAOYSA-N
MW321.33 g/mol
LogP2.44
Rot. Bonds5

About N-(3,5-difluorophenyl)-2-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]acetamide

N-(3,5-difluorophenyl)-2-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]acetamide (PubChem CID 84593889) has the molecular formula C16H17F2N3O2 and a molecular weight of 321.33 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-2-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-2-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]acetamide
PubChem CID84593889
Molecular FormulaC16H17F2N3O2
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC NameN-(3,5-difluorophenyl)-2-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]acetamide
SMILESCc1ccc(O)c(CN(C)CC(=O)Nc2cc(F)cc(F)c2)n1
InChIInChI=1S/C16H17F2N3O2/c1-10-3-4-15(22)14(19-10)8-21(2)9-16(23)20-13-6-11(17)5-12(18)7-13/h3-7,22H,8-9H2,1-2H3,(H,20,23)
InChIKeyXLLRVMVBQZMOGA-UHFFFAOYSA-N
XLogP2.44
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-chloro-4-pyridinyl)methyl-methylamino]-N-(3,5-difluorophenyl)acetamide
CID 71982948
2-[[benzyl(methyl)amino]methyl]-6-methylpyridin-3-ol
CID 122418730
N-(3,5-difluorophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 115665697
N-(3-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 9223772
N-(3,5-difluorophenyl)-2-[imidazo[1,2-a]pyridin-3-ylmethyl(methyl)amino]acetamide
CID 71873708
2-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 79156397
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(3,5-difluorophenyl)acetamide
CID 79651883
N-(3-fluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2714145
N-(3-fluorophenyl)-2-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl-methylamino]acetamide
CID 8847354
N-(3-fluoro-4-methylphenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 27197824
methyl 2-[[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]methyl]-4-methylquinoline-3-carboxylate
CID 8846540
N-(3-fluorophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]acetamide
CID 2658590

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-2-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]acetamide?
The IUPAC name of N-(3,5-difluorophenyl)-2-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]acetamide (CID 84593889) is N-(3,5-difluorophenyl)-2-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-2-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]acetamide?
The canonical SMILES for N-(3,5-difluorophenyl)-2-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]acetamide is Cc1ccc(O)c(CN(C)CC(=O)Nc2cc(F)cc(F)c2)n1.
What is the InChIKey of N-(3,5-difluorophenyl)-2-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]acetamide?
The InChIKey is XLLRVMVBQZMOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O2/c1-10-3-4-15(22)14(19-10)8-21(2)9-16(23)20-13-6-11(17)5-12(18)7-13/h3-7,22H,8-9H2,1-2H3,(H,20,23).
What are the key properties of N-(3,5-difluorophenyl)-2-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]acetamide?
N-(3,5-difluorophenyl)-2-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]acetamide has a molecular weight of 321.33 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-2-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]acetamide is sourced from PubChem (CID 84593889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).