N-(3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)-N,2-dimethylpropanamide

C12H15N3O3 — CID 123889730

IUPACN-(3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)-N,2-dimethylpropanamide
SMILESCc1cc(=O)n(N(C)C(=O)C(C)C)c(O)c1C#N
InChIInChI=1S/C12H15N3O3/c1-7(2)11(17)14(4)15-10(16)5-8(3)9(6-13)12(15)18/h5,7,18H,1-4H3
InChIKeyZRAHCXCBOXEXRR-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.48
Rot. Bonds2

About N-(3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)-N,2-dimethylpropanamide

N-(3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)-N,2-dimethylpropanamide (PubChem CID 123889730) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is N-(3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)-N,2-dimethylpropanamide
PubChem CID123889730
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC NameN-(3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)-N,2-dimethylpropanamide
SMILESCc1cc(=O)n(N(C)C(=O)C(C)C)c(O)c1C#N
InChIInChI=1S/C12H15N3O3/c1-7(2)11(17)14(4)15-10(16)5-8(3)9(6-13)12(15)18/h5,7,18H,1-4H3
InChIKeyZRAHCXCBOXEXRR-UHFFFAOYSA-N
XLogP0.48
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-1,4-dimethyl-2-oxo-
CID 113347
6-Hydroxy-4-methyl-1-(2-methylpropyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 1504761
6-Hydroxy-4-methyl-2-oxo-1-propyl-1,2-dihydropyridine-3-carbonitrile
CID 704165
6-Hydroxy-1,5-dimethyl-2-oxopyridine-3-carbonitrile
CID 117918
4-Ethyl-2-hydroxy-1-methyl-6-oxopyridine-3-carbonitrile
CID 19768156
1-(Dimethylamino)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
CID 20329044
3-Cyano-6-hydroxy-4-methyl-2-oxo-1(2H)-pyridinepropanenitrile
CID 23338629
6-Hydroxy-1,4,5-trimethyl-2-oxopyridine-3-carbonitrile
CID 23517638
CID 58618894
CID 58618894
1-(Dibutylamino)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
CID 89711389
N-(3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)-N,2,2-trimethylpropanamide
CID 89711403
N-(3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)-N-ethyl-2,2-dimethylpropanamide
CID 123355317

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)-N,2-dimethylpropanamide?
The IUPAC name of N-(3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)-N,2-dimethylpropanamide (CID 123889730) is N-(3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)-N,2-dimethylpropanamide.
What is the SMILES notation for N-(3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)-N,2-dimethylpropanamide?
The canonical SMILES for N-(3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)-N,2-dimethylpropanamide is Cc1cc(=O)n(N(C)C(=O)C(C)C)c(O)c1C#N.
What is the InChIKey of N-(3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)-N,2-dimethylpropanamide?
The InChIKey is ZRAHCXCBOXEXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-7(2)11(17)14(4)15-10(16)5-8(3)9(6-13)12(15)18/h5,7,18H,1-4H3.
What are the key properties of N-(3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)-N,2-dimethylpropanamide?
N-(3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)-N,2-dimethylpropanamide has a molecular weight of 249.27 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)-N,2-dimethylpropanamide is sourced from PubChem (CID 123889730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).