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

C13H17N3O3 — CID 20801701

IUPACN-[2-(2-hydroxy-5-isocyano-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]propanamide
SMILES[C-]#[N+]c1c(C)c(C)c(O)n(CCNC(=O)CC)c1=O
InChIInChI=1S/C13H17N3O3/c1-5-10(17)15-6-7-16-12(18)9(3)8(2)11(14-4)13(16)19/h18H,5-7H2,1-3H3,(H,15,17)
InChIKeyHTFUVLMQWLQGKW-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.25
Rot. Bonds4

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

N-[2-(2-hydroxy-5-isocyano-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]propanamide (PubChem CID 20801701) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-[2-(2-hydroxy-5-isocyano-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(2-hydroxy-5-isocyano-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]propanamide
PubChem CID20801701
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN-[2-(2-hydroxy-5-isocyano-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]propanamide
SMILES[C-]#[N+]c1c(C)c(C)c(O)n(CCNC(=O)CC)c1=O
InChIInChI=1S/C13H17N3O3/c1-5-10(17)15-6-7-16-12(18)9(3)8(2)11(14-4)13(16)19/h18H,5-7H2,1-3H3,(H,15,17)
InChIKeyHTFUVLMQWLQGKW-UHFFFAOYSA-N
XLogP1.25
TPSA75.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.25
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

3-Pyridinecarbonitrile, 5-amino-1-ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-
CID 15538525
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]-2,2-dimethylpropanamide
CID 20801699
N-[2-(2-hydroxy-5-isocyano-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]acetamide
CID 20801700
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxy-5-isocyano-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]propanamide?
The IUPAC name of N-[2-(2-hydroxy-5-isocyano-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]propanamide (CID 20801701) is N-[2-(2-hydroxy-5-isocyano-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]propanamide.
What is the SMILES notation for N-[2-(2-hydroxy-5-isocyano-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]propanamide?
The canonical SMILES for N-[2-(2-hydroxy-5-isocyano-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]propanamide is [C-]#[N+]c1c(C)c(C)c(O)n(CCNC(=O)CC)c1=O.
What is the InChIKey of N-[2-(2-hydroxy-5-isocyano-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]propanamide?
The InChIKey is HTFUVLMQWLQGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-5-10(17)15-6-7-16-12(18)9(3)8(2)11(14-4)13(16)19/h18H,5-7H2,1-3H3,(H,15,17).
What are the key properties of N-[2-(2-hydroxy-5-isocyano-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]propanamide?
N-[2-(2-hydroxy-5-isocyano-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]propanamide has a molecular weight of 263.30 g/mol, XLogP of 1.25, 4 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]propanamide is sourced from PubChem (CID 20801701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).