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

C11H14N2O2 — CID 2779664

IUPACN-(3-formyl-4-pyridinyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccncc1C=O
InChIInChI=1S/C11H14N2O2/c1-11(2,3)10(15)13-9-4-5-12-6-8(9)7-14/h4-7H,1-3H3,(H,12,13,15)
InChIKeyICMXCEJBHWHTBH-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.88
Rot. Bonds2

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

N-(3-formyl-4-pyridinyl)-2,2-dimethylpropanamide (PubChem CID 2779664) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is N-(3-formyl-4-pyridinyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(3-formyl-4-pyridinyl)-2,2-dimethylpropanamide
PubChem CID2779664
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC NameN-(3-formyl-4-pyridinyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccncc1C=O
InChIInChI=1S/C11H14N2O2/c1-11(2,3)10(15)13-9-4-5-12-6-8(9)7-14/h4-7H,1-3H3,(H,12,13,15)
InChIKeyICMXCEJBHWHTBH-UHFFFAOYSA-N
XLogP1.88
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.88
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

4-(2,2-dimethylpropanoylamino)pyridine-3-carboxylate
CID 6932609
2,2-dimethyl-N-[3-(4-methylbenzoyl)-4-pyridinyl]propanamide
CID 146673955
N-(3-formyl-2-methyl-4-pyridinyl)-2,2-dimethylpropanamide
CID 118192456
methyl 2-[4-(2,2-dimethylpropanoylamino)-3-pyridinyl]-2-oxoacetate
CID 176957322
N-(3-formyl-4-pyridinyl)-4-methoxybenzamide
CID 170144141
2-bromo-N-(3-bromo-4-pyridinyl)-2-methylpropanamide
CID 114328998
4-(aminomethylamino)pyridine-3-carbaldehyde
CID 123882832
[4-(2,2-dimethylpropanoylamino)-3-pyridinyl] 2-oxobutanoate
CID 90842056
N-(2-formyl-3-pyridinyl)-2,2-dimethylpropanamide
CID 121217282
N-(2-ethyl-3-formyl-4-pyridinyl)-2,2-dimethylpropanamide
CID 118192895
N-[4-(3-hydroxyprop-1-ynyl)-3-pyridinyl]-2,2-dimethylpropanamide
CID 135084117
ethyl 3-(2,2-dimethylpropanoylamino)pyridine-4-carboxylate
CID 139270358

Frequently Asked Questions

What is the IUPAC name of N-(3-formyl-4-pyridinyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(3-formyl-4-pyridinyl)-2,2-dimethylpropanamide (CID 2779664) is N-(3-formyl-4-pyridinyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(3-formyl-4-pyridinyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(3-formyl-4-pyridinyl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccncc1C=O.
What is the InChIKey of N-(3-formyl-4-pyridinyl)-2,2-dimethylpropanamide?
The InChIKey is ICMXCEJBHWHTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-11(2,3)10(15)13-9-4-5-12-6-8(9)7-14/h4-7H,1-3H3,(H,12,13,15).
What are the key properties of N-(3-formyl-4-pyridinyl)-2,2-dimethylpropanamide?
N-(3-formyl-4-pyridinyl)-2,2-dimethylpropanamide has a molecular weight of 206.25 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-formyl-4-pyridinyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 2779664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).