2-[ethyl-[5-(methylaminomethyl)-2-pyridinyl]amino]-N,N-dimethylacetamide

C13H22N4O — CID 80630363

IUPAC2-[ethyl-[5-(methylaminomethyl)-2-pyridinyl]amino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)c1ccc(CNC)cn1
InChIInChI=1S/C13H22N4O/c1-5-17(10-13(18)16(3)4)12-7-6-11(8-14-2)9-15-12/h6-7,9,14H,5,8,10H2,1-4H3
InChIKeyPVNUCATUAKFRSK-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.72
Rot. Bonds6

About 2-[ethyl-[5-(methylaminomethyl)-2-pyridinyl]amino]-N,N-dimethylacetamide

2-[ethyl-[5-(methylaminomethyl)-2-pyridinyl]amino]-N,N-dimethylacetamide (PubChem CID 80630363) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-[ethyl-[5-(methylaminomethyl)-2-pyridinyl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[ethyl-[5-(methylaminomethyl)-2-pyridinyl]amino]-N,N-dimethylacetamide
PubChem CID80630363
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-[ethyl-[5-(methylaminomethyl)-2-pyridinyl]amino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)c1ccc(CNC)cn1
InChIInChI=1S/C13H22N4O/c1-5-17(10-13(18)16(3)4)12-7-6-11(8-14-2)9-15-12/h6-7,9,14H,5,8,10H2,1-4H3
InChIKeyPVNUCATUAKFRSK-UHFFFAOYSA-N
XLogP0.72
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-[5-(methylaminomethyl)-2-pyridinyl]amino]acetamide
CID 103103171
N,N-diethyl-2-[methyl-[5-(methylaminomethyl)-2-pyridinyl]amino]acetamide
CID 80629963
N,N-dimethyl-2-[propyl-[5-(propylaminomethyl)-2-pyridinyl]amino]acetamide
CID 80632298
N-ethyl-N-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 62280400
5-(methylaminomethyl)-N,N-dipropylpyridin-2-amine
CID 62284274
2-[methyl-[5-(methylaminomethyl)-2-pyridinyl]amino]acetamide
CID 80630822
2-[N-ethyl-2-methyl-4-(methylaminomethyl)anilino]-N,N-dimethylacetamide
CID 62120856
N,N,N'-triethyl-N'-[5-(methylaminomethyl)-2-pyridinyl]propane-1,3-diamine
CID 102995293
N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methyl-3-(methylamino)propanamide
CID 119846374
tert-butyl N-methyl-N-[5-(methylaminomethyl)-2-pyridinyl]carbamate
CID 145198356
2-amino-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methylpropanamide
CID 119846340
2-[[5-(aminomethyl)-2-pyridinyl]-ethylamino]acetamide
CID 103101253

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[5-(methylaminomethyl)-2-pyridinyl]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[ethyl-[5-(methylaminomethyl)-2-pyridinyl]amino]-N,N-dimethylacetamide (CID 80630363) is 2-[ethyl-[5-(methylaminomethyl)-2-pyridinyl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[ethyl-[5-(methylaminomethyl)-2-pyridinyl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[ethyl-[5-(methylaminomethyl)-2-pyridinyl]amino]-N,N-dimethylacetamide is CCN(CC(=O)N(C)C)c1ccc(CNC)cn1.
What is the InChIKey of 2-[ethyl-[5-(methylaminomethyl)-2-pyridinyl]amino]-N,N-dimethylacetamide?
The InChIKey is PVNUCATUAKFRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-5-17(10-13(18)16(3)4)12-7-6-11(8-14-2)9-15-12/h6-7,9,14H,5,8,10H2,1-4H3.
What are the key properties of 2-[ethyl-[5-(methylaminomethyl)-2-pyridinyl]amino]-N,N-dimethylacetamide?
2-[ethyl-[5-(methylaminomethyl)-2-pyridinyl]amino]-N,N-dimethylacetamide has a molecular weight of 250.35 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[5-(methylaminomethyl)-2-pyridinyl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 80630363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).