2,2-dimethyl-N-pyridin-3-ylpropanamide

C10H14N2O — CID 4655044

IUPAC2,2-dimethyl-N-pyridin-3-ylpropanamide
SMILESCC(C)(C)C(=O)Nc1cccnc1
InChIInChI=1S/C10H14N2O/c1-10(2,3)9(13)12-8-5-4-6-11-7-8/h4-7H,1-3H3,(H,12,13)
InChIKeyVQXVCVTZSTYIMG-UHFFFAOYSA-N
MW178.24 g/mol
LogP2.07
Rot. Bonds1

About 2,2-dimethyl-N-pyridin-3-ylpropanamide

2,2-dimethyl-N-pyridin-3-ylpropanamide (PubChem CID 4655044) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 2,2-dimethyl-N-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-pyridin-3-ylpropanamide
PubChem CID4655044
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name2,2-dimethyl-N-pyridin-3-ylpropanamide
SMILESCC(C)(C)C(=O)Nc1cccnc1
InChIInChI=1S/C10H14N2O/c1-10(2,3)9(13)12-8-5-4-6-11-7-8/h4-7H,1-3H3,(H,12,13)
InChIKeyVQXVCVTZSTYIMG-UHFFFAOYSA-N
XLogP2.07
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Milrinone
CID 4197
3-Aminopyridine
CID 10009
Pyroxamide
CID 4996
1-Pyridin-3-yl-1,4-diazepane
CID 10654891
N-Pyridin-4-ylacetamide
CID 21288
3-Phenyl-1-(pyridin-3-yl)urea
CID 674807
3-Acetamidopyridine
CID 79978
1-(3-Fluorophenyl)-3-(3-pyridyl)urea
CID 853873
6-Methyl-2-(pyridin-2-yl)pyrimidin-4-ol
CID 135472985
2-chloro-N-(6-cyanopyridin-3-yl)propanamide
CID 25141337
ethyl N-(pyridin-3-yl)carbamate
CID 235275
1-(Pyridin-3-yl)piperazine
CID 437234

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-pyridin-3-ylpropanamide?
The IUPAC name of 2,2-dimethyl-N-pyridin-3-ylpropanamide (CID 4655044) is 2,2-dimethyl-N-pyridin-3-ylpropanamide.
What is the SMILES notation for 2,2-dimethyl-N-pyridin-3-ylpropanamide?
The canonical SMILES for 2,2-dimethyl-N-pyridin-3-ylpropanamide is CC(C)(C)C(=O)Nc1cccnc1.
What is the InChIKey of 2,2-dimethyl-N-pyridin-3-ylpropanamide?
The InChIKey is VQXVCVTZSTYIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-10(2,3)9(13)12-8-5-4-6-11-7-8/h4-7H,1-3H3,(H,12,13).
What are the key properties of 2,2-dimethyl-N-pyridin-3-ylpropanamide?
2,2-dimethyl-N-pyridin-3-ylpropanamide has a molecular weight of 178.24 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-pyridin-3-ylpropanamide is sourced from PubChem (CID 4655044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).