N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2,6-dimethylpyridine-3-carboxamide

C16H17N3O2 — CID 76950265

IUPACN-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2,6-dimethylpyridine-3-carboxamide
SMILESCC(=NO)c1cccc(NC(=O)c2ccc(C)nc2C)c1
InChIInChI=1S/C16H17N3O2/c1-10-7-8-15(12(3)17-10)16(20)18-14-6-4-5-13(9-14)11(2)19-21/h4-9,21H,1-3H3,(H,18,20)
InChIKeyPFIJGQCKNMPGLV-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.15
Rot. Bonds3

About N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2,6-dimethylpyridine-3-carboxamide

N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2,6-dimethylpyridine-3-carboxamide (PubChem CID 76950265) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2,6-dimethylpyridine-3-carboxamide
PubChem CID76950265
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2,6-dimethylpyridine-3-carboxamide
SMILESCC(=NO)c1cccc(NC(=O)c2ccc(C)nc2C)c1
InChIInChI=1S/C16H17N3O2/c1-10-7-8-15(12(3)17-10)16(20)18-14-6-4-5-13(9-14)11(2)19-21/h4-9,21H,1-3H3,(H,18,20)
InChIKeyPFIJGQCKNMPGLV-UHFFFAOYSA-N
XLogP3.15
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-bromophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 47299315
N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24691047
N-(3-cyanophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 47300067
2-fluoro-N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24708149
N-(4-acetylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 47278410
3-fluoro-N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]pyridine-4-carboxamide
CID 77054769
2,5-dibromo-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 114373061
N-[3-(3-hydroxyprop-1-ynyl)phenyl]-2,6-dimethylpyridine-3-carboxamide
CID 62830959
3,4-dihydroxy-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 107728450
5-chloro-2-hydroxy-N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 43096147
5-chloro-N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]pyridine-2-carboxamide
CID 77037502
3-bromo-2-fluoro-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 107953598

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2,6-dimethylpyridine-3-carboxamide (CID 76950265) is N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2,6-dimethylpyridine-3-carboxamide is CC(=NO)c1cccc(NC(=O)c2ccc(C)nc2C)c1.
What is the InChIKey of N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2,6-dimethylpyridine-3-carboxamide?
The InChIKey is PFIJGQCKNMPGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-10-7-8-15(12(3)17-10)16(20)18-14-6-4-5-13(9-14)11(2)19-21/h4-9,21H,1-3H3,(H,18,20).
What are the key properties of N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2,6-dimethylpyridine-3-carboxamide?
N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 76950265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).