N-[4-(cyanomethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide

C16H15N3O2 — CID 61058980

IUPACN-[4-(cyanomethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(OCC#N)cc2)c(C)n1
InChIInChI=1S/C16H15N3O2/c1-11-3-8-15(12(2)18-11)16(20)19-13-4-6-14(7-5-13)21-10-9-17/h3-8H,10H2,1-2H3,(H,19,20)
InChIKeyGAWGWOYNOHIGFD-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.85
Rot. Bonds4

About N-[4-(cyanomethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide

N-[4-(cyanomethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide (PubChem CID 61058980) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is N-[4-(cyanomethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(cyanomethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide
PubChem CID61058980
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC NameN-[4-(cyanomethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(OCC#N)cc2)c(C)n1
InChIInChI=1S/C16H15N3O2/c1-11-3-8-15(12(2)18-11)16(20)19-13-4-6-14(7-5-13)21-10-9-17/h3-8H,10H2,1-2H3,(H,19,20)
InChIKeyGAWGWOYNOHIGFD-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-(2-aminoethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide
CID 62830929
N-[2-(cyanomethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide
CID 62830087
4-bromo-N-[4-(cyanomethoxy)phenyl]-2-methylbenzamide
CID 43629917
N-[4-(3-aminoprop-1-ynyl)phenyl]-2,6-dimethylpyridine-3-carboxamide
CID 62828528
N-(4-acetylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 47278410
2-bromo-N-[4-(cyanomethoxy)phenyl]pyridine-3-carboxamide
CID 103751975
N-(3-cyanophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 47300067
2-bromo-N-[4-(cyanomethoxy)phenyl]-5-methoxybenzamide
CID 30873503
N-[4-(cyanomethoxy)phenyl]pyridine-2-carboxamide
CID 30874024
N-[4-(cyanomethoxy)phenyl]-2,3-diethylquinoxaline-6-carboxamide
CID 30662859
N-(5-cyano-2-pyridinyl)-2,6-dimethylpyridine-3-carboxamide
CID 62830947
N-[4-(cyanomethoxy)phenyl]-3-fluoro-5-methylbenzamide
CID 115659773

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-[4-(cyanomethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide (CID 61058980) is N-[4-(cyanomethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-(cyanomethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-[4-(cyanomethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide is Cc1ccc(C(=O)Nc2ccc(OCC#N)cc2)c(C)n1.
What is the InChIKey of N-[4-(cyanomethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide?
The InChIKey is GAWGWOYNOHIGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-11-3-8-15(12(2)18-11)16(20)19-13-4-6-14(7-5-13)21-10-9-17/h3-8H,10H2,1-2H3,(H,19,20).
What are the key properties of N-[4-(cyanomethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide?
N-[4-(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-[4-(cyanomethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 61058980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).