2,2-dimethyl-N-[2-[methyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]propanamide

C14H21N3O2 — CID 47028268

IUPAC2,2-dimethyl-N-[2-[methyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]propanamide
SMILESCN(Cc1ccncc1)C(=O)CNC(=O)C(C)(C)C
InChIInChI=1S/C14H21N3O2/c1-14(2,3)13(19)16-9-12(18)17(4)10-11-5-7-15-8-6-11/h5-8H,9-10H2,1-4H3,(H,16,19)
InChIKeyTUXKGSQASRQYKT-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.20
Rot. Bonds4

About 2,2-dimethyl-N-[2-[methyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]propanamide

2,2-dimethyl-N-[2-[methyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]propanamide (PubChem CID 47028268) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-[methyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-[methyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]propanamide
PubChem CID47028268
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2,2-dimethyl-N-[2-[methyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]propanamide
SMILESCN(Cc1ccncc1)C(=O)CNC(=O)C(C)(C)C
InChIInChI=1S/C14H21N3O2/c1-14(2,3)13(19)16-9-12(18)17(4)10-11-5-7-15-8-6-11/h5-8H,9-10H2,1-4H3,(H,16,19)
InChIKeyTUXKGSQASRQYKT-UHFFFAOYSA-N
XLogP1.20
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]propanamide
CID 112993675
N-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)acetamide
CID 43564524
N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]-2,2-dimethylpropanamide
CID 113055411
2-bromo-N,2-dimethyl-N-(pyridin-4-ylmethyl)propanamide
CID 82109726
2-amino-N,2-dimethyl-N-(pyridin-4-ylmethyl)propanamide
CID 61266560
1-methyl-N-[2-[methyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 75375888
2-methyl-2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]propanoic acid
CID 61266937
N'-benzyl-N'-methyl-N-(pyridin-4-ylmethyl)propanediamide
CID 108946043
2,2-diethyl-4-[methyl(pyridin-4-ylmethyl)amino]-4-oxobutanoic acid
CID 43564268
N-[2-(dimethylamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 60667715
N-methyl-N-(pyridin-4-ylmethyl)-1H-imidazole-5-carboxamide
CID 123395094
3-(ethylamino)-N-methyl-N-(pyridin-4-ylmethyl)butanamide
CID 55122842

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-[methyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-[methyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]propanamide (CID 47028268) is 2,2-dimethyl-N-[2-[methyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-[methyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-[methyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]propanamide is CN(Cc1ccncc1)C(=O)CNC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-[2-[methyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]propanamide?
The InChIKey is TUXKGSQASRQYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-14(2,3)13(19)16-9-12(18)17(4)10-11-5-7-15-8-6-11/h5-8H,9-10H2,1-4H3,(H,16,19).
What are the key properties of 2,2-dimethyl-N-[2-[methyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]propanamide?
2,2-dimethyl-N-[2-[methyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]propanamide has a molecular weight of 263.34 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-[methyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]propanamide is sourced from PubChem (CID 47028268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).