2,2-dimethyl-N-(1-pyridin-3-ylethyl)propanamide

C12H18N2O — CID 60717480

IUPAC2,2-dimethyl-N-(1-pyridin-3-ylethyl)propanamide
SMILESCC(NC(=O)C(C)(C)C)c1cccnc1
InChIInChI=1S/C12H18N2O/c1-9(10-6-5-7-13-8-10)14-11(15)12(2,3)4/h5-9H,1-4H3,(H,14,15)
InChIKeyKAATZELCIIHBNY-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.30
Rot. Bonds2

About 2,2-dimethyl-N-(1-pyridin-3-ylethyl)propanamide

2,2-dimethyl-N-(1-pyridin-3-ylethyl)propanamide (PubChem CID 60717480) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2,2-dimethyl-N-(1-pyridin-3-ylethyl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(1-pyridin-3-ylethyl)propanamide
PubChem CID60717480
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2,2-dimethyl-N-(1-pyridin-3-ylethyl)propanamide
SMILESCC(NC(=O)C(C)(C)C)c1cccnc1
InChIInChI=1S/C12H18N2O/c1-9(10-6-5-7-13-8-10)14-11(15)12(2,3)4/h5-9H,1-4H3,(H,14,15)
InChIKeyKAATZELCIIHBNY-UHFFFAOYSA-N
XLogP2.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]propanamide
CID 92500199
2-(4-aminophenyl)-2-methyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide
CID 81394028
1-methyl-3-(1-pyridin-3-ylethyl)urea
CID 115576611
2,2-dimethyl-N-(1-phenylethyl)propanamide
CID 4252554
(2R)-2-amino-3,3-dimethyl-N-(1-pyridin-3-ylethyl)butanamide
CID 103928477
methyl N-[(1R)-1-pyridin-3-ylethyl]carbamate
CID 130621848
2-carbamothioyl-2-methyl-N-(1-pyridin-3-ylethyl)butanamide
CID 113270500
2-chloro-N-[(1R)-1-pyridin-3-ylethyl]propanamide
CID 81405185
2,2-dimethyl-4-oxo-4-[[(1S)-1-pyridin-3-ylethyl]amino]butanoic acid
CID 81407790
N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 51073131
2-(methylamino)-N-[(1S)-1-pyridin-3-ylethyl]propanamide
CID 81404462
3,3-dimethyl-5-oxo-5-[[(1S)-1-pyridin-3-ylethyl]amino]pentanoic acid
CID 81407118

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(1-pyridin-3-ylethyl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(1-pyridin-3-ylethyl)propanamide (CID 60717480) is 2,2-dimethyl-N-(1-pyridin-3-ylethyl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(1-pyridin-3-ylethyl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(1-pyridin-3-ylethyl)propanamide is CC(NC(=O)C(C)(C)C)c1cccnc1.
What is the InChIKey of 2,2-dimethyl-N-(1-pyridin-3-ylethyl)propanamide?
The InChIKey is KAATZELCIIHBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9(10-6-5-7-13-8-10)14-11(15)12(2,3)4/h5-9H,1-4H3,(H,14,15).
What are the key properties of 2,2-dimethyl-N-(1-pyridin-3-ylethyl)propanamide?
2,2-dimethyl-N-(1-pyridin-3-ylethyl)propanamide has a molecular weight of 206.29 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(1-pyridin-3-ylethyl)propanamide is sourced from PubChem (CID 60717480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).