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

C12H16N2O2 — CID 118192456

IUPACN-(3-formyl-2-methyl-4-pyridinyl)-2,2-dimethylpropanamide
SMILESCc1nccc(NC(=O)C(C)(C)C)c1C=O
InChIInChI=1S/C12H16N2O2/c1-8-9(7-15)10(5-6-13-8)14-11(16)12(2,3)4/h5-7H,1-4H3,(H,13,14,16)
InChIKeyJPDOLHZSYXFBSX-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.19
Rot. Bonds2

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

N-(3-formyl-2-methyl-4-pyridinyl)-2,2-dimethylpropanamide (PubChem CID 118192456) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-(3-formyl-2-methyl-4-pyridinyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(3-formyl-2-methyl-4-pyridinyl)-2,2-dimethylpropanamide
PubChem CID118192456
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-(3-formyl-2-methyl-4-pyridinyl)-2,2-dimethylpropanamide
SMILESCc1nccc(NC(=O)C(C)(C)C)c1C=O
InChIInChI=1S/C12H16N2O2/c1-8-9(7-15)10(5-6-13-8)14-11(16)12(2,3)4/h5-7H,1-4H3,(H,13,14,16)
InChIKeyJPDOLHZSYXFBSX-UHFFFAOYSA-N
XLogP2.19
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-formyl-2-methyl-4-pyridinyl)-2,2-dimethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-ethyl-3-formyl-4-pyridinyl)-2,2-dimethylpropanamide
CID 118192895
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
2,2-dimethyl-N-(2-propan-2-yl-3-pyridinyl)propanamide
CID 178129632
4-(2,2-dimethylpropanoylamino)pyridine-3-carboxylate
CID 6932609
2,2-dimethyl-N-(3-methyl-2-pyridinyl)propanamide
CID 1479965
N-(2-ethoxy-5-formylphenyl)-2,2-dimethylpropanamide
CID 82156146
N-[2,3-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide
CID 141287633
N-(2-chloro-4-pyridinyl)-2,2-dimethylpropanamide
CID 58398271
2,2-dimethyl-N-(1,3-oxazol-2-yl)propanamide
CID 146397986

Frequently Asked Questions

What is the IUPAC name of N-(3-formyl-2-methyl-4-pyridinyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(3-formyl-2-methyl-4-pyridinyl)-2,2-dimethylpropanamide (CID 118192456) is N-(3-formyl-2-methyl-4-pyridinyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(3-formyl-2-methyl-4-pyridinyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(3-formyl-2-methyl-4-pyridinyl)-2,2-dimethylpropanamide is Cc1nccc(NC(=O)C(C)(C)C)c1C=O.
What is the InChIKey of N-(3-formyl-2-methyl-4-pyridinyl)-2,2-dimethylpropanamide?
The InChIKey is JPDOLHZSYXFBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8-9(7-15)10(5-6-13-8)14-11(16)12(2,3)4/h5-7H,1-4H3,(H,13,14,16).
What are the key properties of N-(3-formyl-2-methyl-4-pyridinyl)-2,2-dimethylpropanamide?
N-(3-formyl-2-methyl-4-pyridinyl)-2,2-dimethylpropanamide has a molecular weight of 220.27 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-formyl-2-methyl-4-pyridinyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 118192456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).