N,2-dimethyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)propanamide

C13H21N3O — CID 62847427

IUPACN,2-dimethyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)propanamide
SMILESCNC(C)(C)C(=O)N(C)CCc1ccncc1
InChIInChI=1S/C13H21N3O/c1-13(2,14-3)12(17)16(4)10-7-11-5-8-15-9-6-11/h5-6,8-9,14H,7,10H2,1-4H3
InChIKeyPALJJGCPWAWUPY-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.08
Rot. Bonds5

About N,2-dimethyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)propanamide

N,2-dimethyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)propanamide (PubChem CID 62847427) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N,2-dimethyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)propanamide.

Molecular Properties

Compound NameN,2-dimethyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)propanamide
PubChem CID62847427
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN,2-dimethyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)propanamide
SMILESCNC(C)(C)C(=O)N(C)CCc1ccncc1
InChIInChI=1S/C13H21N3O/c1-13(2,14-3)12(17)16(4)10-7-11-5-8-15-9-6-11/h5-6,8-9,14H,7,10H2,1-4H3
InChIKeyPALJJGCPWAWUPY-UHFFFAOYSA-N
XLogP1.08
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-2-(methylamino)-N-(2-phenylethyl)propanamide
CID 62846352
N-[2-(4-chlorophenyl)ethyl]-N,2-dimethyl-2-(methylamino)propanamide
CID 115165826
N-[2-(dimethylamino)ethyl]-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108960203
N-methyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 60913880
N-benzyl-N,N',2,2-tetramethyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108962257
N-[3-(dimethylamino)propyl]-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108960527
N,2-dimethyl-2-(methylamino)-N-[2-(3-methylphenyl)ethyl]propanamide
CID 115165838
3-(tert-butylamino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 54943632
2,2-dimethyl-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]propanamide
CID 112993675
N-(4-acetylphenyl)-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108964579
2-chloro-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 60913202
N-ethyl-N',2,2-trimethyl-N-phenyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108964542

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)propanamide?
The IUPAC name of N,2-dimethyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)propanamide (CID 62847427) is N,2-dimethyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)propanamide.
What is the SMILES notation for N,2-dimethyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)propanamide?
The canonical SMILES for N,2-dimethyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)propanamide is CNC(C)(C)C(=O)N(C)CCc1ccncc1.
What is the InChIKey of N,2-dimethyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)propanamide?
The InChIKey is PALJJGCPWAWUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-13(2,14-3)12(17)16(4)10-7-11-5-8-15-9-6-11/h5-6,8-9,14H,7,10H2,1-4H3.
What are the key properties of N,2-dimethyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)propanamide?
N,2-dimethyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)propanamide has a molecular weight of 235.33 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)propanamide is sourced from PubChem (CID 62847427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).