N-(1-ethyl-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)formamide

C9H12N2O3 — CID 19734878

IUPACN-(1-ethyl-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)formamide
SMILESCCn1c(O)c(NC=O)c(C)cc1=O
InChIInChI=1S/C9H12N2O3/c1-3-11-7(13)4-6(2)8(9(11)14)10-5-12/h4-5,14H,3H2,1-2H3,(H,10,12)
InChIKeyBPGWVYJPAZOMDD-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.45
Rot. Bonds3

About N-(1-ethyl-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)formamide

N-(1-ethyl-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)formamide (PubChem CID 19734878) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is N-(1-ethyl-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)formamide.

Molecular Properties

Compound NameN-(1-ethyl-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)formamide
PubChem CID19734878
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC NameN-(1-ethyl-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)formamide
SMILESCCn1c(O)c(NC=O)c(C)cc1=O
InChIInChI=1S/C9H12N2O3/c1-3-11-7(13)4-6(2)8(9(11)14)10-5-12/h4-5,14H,3H2,1-2H3,(H,10,12)
InChIKeyBPGWVYJPAZOMDD-UHFFFAOYSA-N
XLogP0.45
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)formamide?
The IUPAC name of N-(1-ethyl-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)formamide (CID 19734878) is N-(1-ethyl-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)formamide.
What is the SMILES notation for N-(1-ethyl-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)formamide?
The canonical SMILES for N-(1-ethyl-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)formamide is CCn1c(O)c(NC=O)c(C)cc1=O.
What is the InChIKey of N-(1-ethyl-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)formamide?
The InChIKey is BPGWVYJPAZOMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-3-11-7(13)4-6(2)8(9(11)14)10-5-12/h4-5,14H,3H2,1-2H3,(H,10,12).
What are the key properties of N-(1-ethyl-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)formamide?
N-(1-ethyl-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)formamide has a molecular weight of 196.21 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)formamide is sourced from PubChem (CID 19734878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).