N-benzyl-2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)acetamide

C16H15N3O2 — CID 82099380

IUPACN-benzyl-2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)acetamide
SMILESCc1ccc(C#N)c(=O)n1CC(=O)NCc1ccccc1
InChIInChI=1S/C16H15N3O2/c1-12-7-8-14(9-17)16(21)19(12)11-15(20)18-10-13-5-3-2-4-6-13/h2-8H,10-11H2,1H3,(H,18,20)
InChIKeyYJQUNWYWASOGQL-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.34
Rot. Bonds4

About N-benzyl-2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)acetamide

N-benzyl-2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)acetamide (PubChem CID 82099380) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is N-benzyl-2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)acetamide
PubChem CID82099380
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC NameN-benzyl-2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)acetamide
SMILESCc1ccc(C#N)c(=O)n1CC(=O)NCc1ccccc1
InChIInChI=1S/C16H15N3O2/c1-12-7-8-14(9-17)16(21)19(12)11-15(20)18-10-13-5-3-2-4-6-13/h2-8H,10-11H2,1H3,(H,18,20)
InChIKeyYJQUNWYWASOGQL-UHFFFAOYSA-N
XLogP1.34
TPSA74.89 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 ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)-N-(furan-2-ylmethyl)acetamide
CID 82099379
2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)-N-methylacetamide
CID 82099506
2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)-N-pyridin-2-ylacetamide
CID 82099517
2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)-N-(2-fluorophenyl)acetamide
CID 82099362
N-benzyl-2-(3-cyanoindol-1-yl)acetamide
CID 668666
2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)-N,N-diethylacetamide
CID 82099388
N-benzyl-2-[3-[(4-methoxyphenyl)sulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide
CID 53161501
2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)-N-methyl-N-propan-2-ylacetamide
CID 107072952
1-[2-(cyanomethylamino)-2-oxoethyl]-6-methyl-2-oxopyridine-3-carboxylic acid
CID 55126324
1-[(Z)-3-chloro-2-methylprop-2-enyl]-6-methyl-2-oxopyridine-3-carbonitrile
CID 106439931
5-(3-cyano-6-methyl-2-oxo-1-pyridinyl)pentanoic acid
CID 82147473
N-benzyl-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502382

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-benzyl-2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)acetamide (CID 82099380) is N-benzyl-2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-benzyl-2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-benzyl-2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)acetamide is Cc1ccc(C#N)c(=O)n1CC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)acetamide?
The InChIKey is YJQUNWYWASOGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-12-7-8-14(9-17)16(21)19(12)11-15(20)18-10-13-5-3-2-4-6-13/h2-8H,10-11H2,1H3,(H,18,20).
What are the key properties of N-benzyl-2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)acetamide?
N-benzyl-2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)acetamide has a molecular weight of 281.32 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 82099380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).