N-acetyl-N-(3-cyano-4-methoxy-2-pyridinyl)acetamide

C11H11N3O3 — CID 170856608

IUPACN-acetyl-N-(3-cyano-4-methoxy-2-pyridinyl)acetamide
SMILESCOc1ccnc(N(C(C)=O)C(C)=O)c1C#N
InChIInChI=1S/C11H11N3O3/c1-7(15)14(8(2)16)11-9(6-12)10(17-3)4-5-13-11/h4-5H,1-3H3
InChIKeyJETJFOOMCOGYEJ-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.86
Rot. Bonds2

About N-acetyl-N-(3-cyano-4-methoxy-2-pyridinyl)acetamide

N-acetyl-N-(3-cyano-4-methoxy-2-pyridinyl)acetamide (PubChem CID 170856608) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is N-acetyl-N-(3-cyano-4-methoxy-2-pyridinyl)acetamide.

Molecular Properties

Compound NameN-acetyl-N-(3-cyano-4-methoxy-2-pyridinyl)acetamide
PubChem CID170856608
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC NameN-acetyl-N-(3-cyano-4-methoxy-2-pyridinyl)acetamide
SMILESCOc1ccnc(N(C(C)=O)C(C)=O)c1C#N
InChIInChI=1S/C11H11N3O3/c1-7(15)14(8(2)16)11-9(6-12)10(17-3)4-5-13-11/h4-5H,1-3H3
InChIKeyJETJFOOMCOGYEJ-UHFFFAOYSA-N
XLogP0.86
TPSA83.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyano-4-methoxypyridine-2-carboxylic acid
CID 130966526
N-(3-cyano-4-methoxy-2-pyridinyl)-methyl-N-[4-(trifluoromethyl)phenyl]boronamidic acid
CID 166502190
2-(4-chlorophenyl)sulfanyl-4-methoxypyridine-3-carbonitrile
CID 1470971
N-acetyl-N-[3-cyano-4-(2-methoxyphenyl)-6-(2-methylpropyl)-2-pyridinyl]acetamide
CID 1271347
2-acetyl-3-fluoro-6-methoxybenzonitrile
CID 83410546
2-(2-fluorophenyl)-4-methoxypyridine-3-carbonitrile
CID 72942917
2-(4-fluorophenoxy)-4-methoxypyridine-3-carbonitrile
CID 1484341
6-methoxy-4-methylquinoline-5-carbonitrile
CID 82573234
4-[(3-cyano-4-methoxy-2-pyridinyl)oxy]benzenesulfonyl chloride
CID 3527834
2-(4-iodoanilino)-4-methoxypyridine-3-carbonitrile
CID 1475645
1-(4-methoxy-3-methyl-2-pyridinyl)ethanone
CID 84652084
methyl 2-(2-bromo-3-cyano-4-pyridinyl)acetate
CID 131030120

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-(3-cyano-4-methoxy-2-pyridinyl)acetamide?
The IUPAC name of N-acetyl-N-(3-cyano-4-methoxy-2-pyridinyl)acetamide (CID 170856608) is N-acetyl-N-(3-cyano-4-methoxy-2-pyridinyl)acetamide.
What is the SMILES notation for N-acetyl-N-(3-cyano-4-methoxy-2-pyridinyl)acetamide?
The canonical SMILES for N-acetyl-N-(3-cyano-4-methoxy-2-pyridinyl)acetamide is COc1ccnc(N(C(C)=O)C(C)=O)c1C#N.
What is the InChIKey of N-acetyl-N-(3-cyano-4-methoxy-2-pyridinyl)acetamide?
The InChIKey is JETJFOOMCOGYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-7(15)14(8(2)16)11-9(6-12)10(17-3)4-5-13-11/h4-5H,1-3H3.
What are the key properties of N-acetyl-N-(3-cyano-4-methoxy-2-pyridinyl)acetamide?
N-acetyl-N-(3-cyano-4-methoxy-2-pyridinyl)acetamide has a molecular weight of 233.23 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-(3-cyano-4-methoxy-2-pyridinyl)acetamide is sourced from PubChem (CID 170856608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).