N-(2-ethyl-3-formyl-4-pyridinyl)-2,2-dimethylpropanamide

C13H18N2O2 — CID 118192895

IUPACN-(2-ethyl-3-formyl-4-pyridinyl)-2,2-dimethylpropanamide
SMILESCCc1nccc(NC(=O)C(C)(C)C)c1C=O
InChIInChI=1S/C13H18N2O2/c1-5-10-9(8-16)11(6-7-14-10)15-12(17)13(2,3)4/h6-8H,5H2,1-4H3,(H,14,15,17)
InChIKeyNRXFWIZVDBYIFI-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.44
Rot. Bonds3

About N-(2-ethyl-3-formyl-4-pyridinyl)-2,2-dimethylpropanamide

N-(2-ethyl-3-formyl-4-pyridinyl)-2,2-dimethylpropanamide (PubChem CID 118192895) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(2-ethyl-3-formyl-4-pyridinyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(2-ethyl-3-formyl-4-pyridinyl)-2,2-dimethylpropanamide
PubChem CID118192895
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-(2-ethyl-3-formyl-4-pyridinyl)-2,2-dimethylpropanamide
SMILESCCc1nccc(NC(=O)C(C)(C)C)c1C=O
InChIInChI=1S/C13H18N2O2/c1-5-10-9(8-16)11(6-7-14-10)15-12(17)13(2,3)4/h6-8H,5H2,1-4H3,(H,14,15,17)
InChIKeyNRXFWIZVDBYIFI-UHFFFAOYSA-N
XLogP2.44
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-formyl-2-methyl-4-pyridinyl)-2,2-dimethylpropanamide
CID 118192456
N-[2-(2-ethyl-3-fluoro-4-pyridinyl)phenyl]-2,2-dimethylpropanamide
CID 11822715
N-(2-formyl-3-pyridinyl)-2,2-dimethylpropanamide
CID 121217282
N-(3-formyl-4-pyridinyl)-2,2-dimethylpropanamide
CID 2779664
N-[2-formyl-3-(methoxymethoxy)phenyl]-2,2-dimethylpropanamide
CID 21082663
2-[3-(2,2-dimethylpropanoylamino)-2-formylphenoxy]acetic acid
CID 21082629
N-(2-ethoxy-5-formylphenyl)-2,2-dimethylpropanamide
CID 82156146
N-(2-chloro-4-pyridinyl)-2,2-dimethylpropanamide
CID 58398271
2,2-dimethyl-N-(2-propan-2-yl-3-pyridinyl)propanamide
CID 178129632
[4-(2,2-dimethylpropanoylamino)-3-pyridinyl] 2-oxobutanoate
CID 90842056
N-(2-ethenyl-3-methoxyphenyl)-2,2-dimethylpropanamide
CID 20571856
N-isoquinolin-1-yl-2,2-dimethylpropanamide
CID 598735

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-3-formyl-4-pyridinyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(2-ethyl-3-formyl-4-pyridinyl)-2,2-dimethylpropanamide (CID 118192895) is N-(2-ethyl-3-formyl-4-pyridinyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(2-ethyl-3-formyl-4-pyridinyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(2-ethyl-3-formyl-4-pyridinyl)-2,2-dimethylpropanamide is CCc1nccc(NC(=O)C(C)(C)C)c1C=O.
What is the InChIKey of N-(2-ethyl-3-formyl-4-pyridinyl)-2,2-dimethylpropanamide?
The InChIKey is NRXFWIZVDBYIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-5-10-9(8-16)11(6-7-14-10)15-12(17)13(2,3)4/h6-8H,5H2,1-4H3,(H,14,15,17).
What are the key properties of N-(2-ethyl-3-formyl-4-pyridinyl)-2,2-dimethylpropanamide?
N-(2-ethyl-3-formyl-4-pyridinyl)-2,2-dimethylpropanamide has a molecular weight of 234.30 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-3-formyl-4-pyridinyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 118192895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).