N-(3,4-difluorophenyl)-2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]acetamide

C16H15F2N3O3 — CID 135828729

IUPACN-(3,4-difluorophenyl)-2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]acetamide
SMILESCc1ncc(CO)c(/C=N/CC(=O)Nc2ccc(F)c(F)c2)c1O
InChIInChI=1S/C16H15F2N3O3/c1-9-16(24)12(10(8-22)5-20-9)6-19-7-15(23)21-11-2-3-13(17)14(18)4-11/h2-6,22,24H,7-8H2,1H3,(H,21,23)/b19-6+
InChIKeyXOVVZBZDHFUZSQ-KPSZGOFPSA-N
MW335.31 g/mol
LogP1.92
Rot. Bonds5

About N-(3,4-difluorophenyl)-2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]acetamide

N-(3,4-difluorophenyl)-2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]acetamide (PubChem CID 135828729) has the molecular formula C16H15F2N3O3 and a molecular weight of 335.31 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]acetamide
PubChem CID135828729
Molecular FormulaC16H15F2N3O3
Molecular Weight335.31 g/mol
Exact Mass335.11
IUPAC NameN-(3,4-difluorophenyl)-2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]acetamide
SMILESCc1ncc(CO)c(/C=N/CC(=O)Nc2ccc(F)c(F)c2)c1O
InChIInChI=1S/C16H15F2N3O3/c1-9-16(24)12(10(8-22)5-20-9)6-19-7-15(23)21-11-2-3-13(17)14(18)4-11/h2-6,22,24H,7-8H2,1H3,(H,21,23)/b19-6+
InChIKeyXOVVZBZDHFUZSQ-KPSZGOFPSA-N
XLogP1.92
TPSA94.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.31
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]benzamide
CID 772263
N-(3,4-difluorophenyl)-2-(6-methyl-3-pyridinyl)acetamide
CID 71940458
5-(hydroxymethyl)-2-methyl-4-(2-methylpropyliminomethyl)pyridin-3-ol
CID 137100245
N,N'-bis(3,4-difluorophenyl)propanediamide
CID 108956967
4-[[4-[(dimethylamino)methyl]phenyl]methyliminomethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 135829045
N-[(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]-2-(2-methoxyanilino)acetamide
CID 135852673
N-[(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide
CID 135804486
(2R,3R,4R,5S)-6-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]hexane-1,2,3,4,5-pentol
CID 136703461
N-(3,4-difluorophenyl)propanamide
CID 4285365
N-[(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]-1-phenylmethanesulfonamide;hydrochloride
CID 163327920
5-(hydroxymethyl)-2-methyl-4-(2-phenylsulfanylethyliminomethyl)pyridin-3-ol
CID 135829014
N,N'-bis(3,4-difluorophenyl)butanediamide
CID 896186

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]acetamide (CID 135828729) is N-(3,4-difluorophenyl)-2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]acetamide is Cc1ncc(CO)c(/C=N/CC(=O)Nc2ccc(F)c(F)c2)c1O.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]acetamide?
The InChIKey is XOVVZBZDHFUZSQ-KPSZGOFPSA-N. The full InChI is InChI=1S/C16H15F2N3O3/c1-9-16(24)12(10(8-22)5-20-9)6-19-7-15(23)21-11-2-3-13(17)14(18)4-11/h2-6,22,24H,7-8H2,1H3,(H,21,23)/b19-6+.
What are the key properties of N-(3,4-difluorophenyl)-2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]acetamide?
N-(3,4-difluorophenyl)-2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]acetamide has a molecular weight of 335.31 g/mol, XLogP of 1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]acetamide is sourced from PubChem (CID 135828729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).