N-[2-(cyanomethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide

C16H15N3O2 — CID 62830087

IUPACN-[2-(cyanomethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccccc2OCC#N)c(C)n1
InChIInChI=1S/C16H15N3O2/c1-11-7-8-13(12(2)18-11)16(20)19-14-5-3-4-6-15(14)21-10-9-17/h3-8H,10H2,1-2H3,(H,19,20)
InChIKeyZHMLHMCHESZLOR-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.85
Rot. Bonds4

About N-[2-(cyanomethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide

N-[2-(cyanomethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide (PubChem CID 62830087) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is N-[2-(cyanomethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyanomethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide
PubChem CID62830087
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC NameN-[2-(cyanomethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccccc2OCC#N)c(C)n1
InChIInChI=1S/C16H15N3O2/c1-11-7-8-13(12(2)18-11)16(20)19-14-5-3-4-6-15(14)21-10-9-17/h3-8H,10H2,1-2H3,(H,19,20)
InChIKeyZHMLHMCHESZLOR-UHFFFAOYSA-N
XLogP2.85
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(cyanomethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide
CID 61058980
N-[2-(cyanomethoxy)phenyl]-4-fluoro-2-hydroxybenzamide
CID 107014799
2-[2-[(2,6-dimethylpyridine-3-carbonyl)amino]phenyl]acetic acid
CID 62830254
5-bromo-N-[2-(cyanomethoxy)phenyl]pyridine-2-carboxamide
CID 62958811
N-[2-(cyanomethoxy)phenyl]thiadiazole-5-carboxamide
CID 65215145
1-[2-(cyanomethoxy)phenyl]-3-(4-methylphenyl)urea
CID 43437768
N-[2-(cyanomethoxy)phenyl]furan-3-carboxamide
CID 43369380
N-[2-(cyanomethoxy)phenyl]-2,2-difluoroacetamide
CID 103513721
3-[(2,6-dimethylpyridine-3-carbonyl)amino]pyridine-2-carboxylic acid
CID 104740370
3-cyano-N-[2-(cyanomethoxy)phenyl]benzamide
CID 43369330
N-[2-(cyanomethoxy)phenyl]-3-fluorobenzamide
CID 43369387
N-[2-(cyanomethoxy)phenyl]-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204415

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyanomethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-[2-(cyanomethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide (CID 62830087) is N-[2-(cyanomethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(cyanomethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(cyanomethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide is Cc1ccc(C(=O)Nc2ccccc2OCC#N)c(C)n1.
What is the InChIKey of N-[2-(cyanomethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide?
The InChIKey is ZHMLHMCHESZLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-11-7-8-13(12(2)18-11)16(20)19-14-5-3-4-6-15(14)21-10-9-17/h3-8H,10H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(cyanomethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide?
N-[2-(cyanomethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyanomethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 62830087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).