N-[2-(2-hydroxy-5-isocyano-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]-2,2-dimethylpropanamide

C15H21N3O3 — CID 20801699

IUPACN-[2-(2-hydroxy-5-isocyano-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]-2,2-dimethylpropanamide
SMILES[C-]#[N+]c1c(C)c(C)c(O)n(CCNC(=O)C(C)(C)C)c1=O
InChIInChI=1S/C15H21N3O3/c1-9-10(2)12(19)18(13(20)11(9)16-6)8-7-17-14(21)15(3,4)5/h19H,7-8H2,1-5H3,(H,17,21)
InChIKeyQUNYVWINBVDIGQ-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.88
Rot. Bonds3

About N-[2-(2-hydroxy-5-isocyano-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]-2,2-dimethylpropanamide

N-[2-(2-hydroxy-5-isocyano-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]-2,2-dimethylpropanamide (PubChem CID 20801699) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[2-(2-hydroxy-5-isocyano-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(2-hydroxy-5-isocyano-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]-2,2-dimethylpropanamide
PubChem CID20801699
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-[2-(2-hydroxy-5-isocyano-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]-2,2-dimethylpropanamide
SMILES[C-]#[N+]c1c(C)c(C)c(O)n(CCNC(=O)C(C)(C)C)c1=O
InChIInChI=1S/C15H21N3O3/c1-9-10(2)12(19)18(13(20)11(9)16-6)8-7-17-14(21)15(3,4)5/h19H,7-8H2,1-5H3,(H,17,21)
InChIKeyQUNYVWINBVDIGQ-UHFFFAOYSA-N
XLogP1.88
TPSA75.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-hydroxy-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]acetamide
CID 20541698
6-Hydroxy-1-[2-(2-hydroxyethylamino)ethyl]-3-isocyano-4,5-dimethylpyridin-2-one
CID 20801688
N-[2-(2-hydroxy-5-isocyano-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]acetamide
CID 20801700
N-[2-(2-hydroxy-5-isocyano-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]propanamide
CID 20801701
6-Hydroxy-4,5-dimethyl-1-[2-(methylamino)ethyl]pyridin-2-one
CID 23338619
N-[2-(2-hydroxy-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]propanamide
CID 57014094
1-Ethyl-6-hydroxy-3-isocyano-4,5-dimethylpyridin-2-one
CID 59676324
1-(2-Aminopropyl)-6-hydroxy-4,5-dimethylpyridin-2-one
CID 59712692
1-(2-Aminopropyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile
CID 59712714
6-Hydroxy-4,5-dimethyl-1-[3-(methylamino)propyl]-2-oxopyridine-3-carbonitrile
CID 59712739
N-ethyl-2-[2,3,4-trimethyl-5-(methylamino)-6-oxo-1-pyridinyl]acetamide
CID 60092802
N-methyl-2-[2,3,4-trimethyl-5-(methylamino)-6-oxo-1-pyridinyl]acetamide
CID 60092964

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxy-5-isocyano-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(2-hydroxy-5-isocyano-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]-2,2-dimethylpropanamide (CID 20801699) is N-[2-(2-hydroxy-5-isocyano-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(2-hydroxy-5-isocyano-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(2-hydroxy-5-isocyano-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]-2,2-dimethylpropanamide is [C-]#[N+]c1c(C)c(C)c(O)n(CCNC(=O)C(C)(C)C)c1=O.
What is the InChIKey of N-[2-(2-hydroxy-5-isocyano-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]-2,2-dimethylpropanamide?
The InChIKey is QUNYVWINBVDIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-9-10(2)12(19)18(13(20)11(9)16-6)8-7-17-14(21)15(3,4)5/h19H,7-8H2,1-5H3,(H,17,21).
What are the key properties of N-[2-(2-hydroxy-5-isocyano-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]-2,2-dimethylpropanamide?
N-[2-(2-hydroxy-5-isocyano-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]-2,2-dimethylpropanamide has a molecular weight of 291.35 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxy-5-isocyano-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 20801699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).