2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)-N-methyl-N-propan-2-ylacetamide

C13H17N3O2 — CID 107072952

IUPAC2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)-N-methyl-N-propan-2-ylacetamide
SMILESCc1ccc(C#N)c(=O)n1CC(=O)N(C)C(C)C
InChIInChI=1S/C13H17N3O2/c1-9(2)15(4)12(17)8-16-10(3)5-6-11(7-14)13(16)18/h5-6,9H,8H2,1-4H3
InChIKeyHQFGVWKMDGQQLX-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.90
Rot. Bonds3

About 2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)-N-methyl-N-propan-2-ylacetamide

2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)-N-methyl-N-propan-2-ylacetamide (PubChem CID 107072952) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)-N-methyl-N-propan-2-ylacetamide
PubChem CID107072952
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)-N-methyl-N-propan-2-ylacetamide
SMILESCc1ccc(C#N)c(=O)n1CC(=O)N(C)C(C)C
InChIInChI=1S/C13H17N3O2/c1-9(2)15(4)12(17)8-16-10(3)5-6-11(7-14)13(16)18/h5-6,9H,8H2,1-4H3
InChIKeyHQFGVWKMDGQQLX-UHFFFAOYSA-N
XLogP0.90
TPSA66.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)-N,N-diethylacetamide
CID 82099388
2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)-N-methylacetamide
CID 82099506
1-[(Z)-3-chloro-2-methylprop-2-enyl]-6-methyl-2-oxopyridine-3-carbonitrile
CID 106439931
1-[3-(dimethylamino)propyl]-6-methyl-2-oxopyridine-3-carbonitrile
CID 82099513
6-methyl-1-(3-methylbut-2-enyl)-2-oxopyridine-3-carbonitrile
CID 107072857
5-(3-cyano-6-methyl-2-oxo-1-pyridinyl)pentanoic acid
CID 82147473
6-methyl-1-(2-methylpentyl)-2-oxopyridine-3-carbonitrile
CID 107072821
N-benzyl-2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)acetamide
CID 82099380
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
ethyl 4-[(3-cyano-6-methyl-2-oxo-1-pyridinyl)methyl]benzoate
CID 82099457
6-methyl-1-[2-(2-methylpropoxy)ethyl]-2-oxopyridine-3-carbonitrile
CID 107073006

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)-N-methyl-N-propan-2-ylacetamide (CID 107072952) is 2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)-N-methyl-N-propan-2-ylacetamide is Cc1ccc(C#N)c(=O)n1CC(=O)N(C)C(C)C.
What is the InChIKey of 2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)-N-methyl-N-propan-2-ylacetamide?
The InChIKey is HQFGVWKMDGQQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9(2)15(4)12(17)8-16-10(3)5-6-11(7-14)13(16)18/h5-6,9H,8H2,1-4H3.
What are the key properties of 2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)-N-methyl-N-propan-2-ylacetamide?
2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)-N-methyl-N-propan-2-ylacetamide has a molecular weight of 247.30 g/mol, XLogP of 0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 107072952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).