2-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride

C17H30Cl2N4O3 — CID 119598066

IUPAC2-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)COCC(=O)NCc1cccnc1.Cl.Cl
InChIInChI=1S/C17H28N4O3.2ClH/c1-13(2)7-17(3,12-18)21-16(23)11-24-10-15(22)20-9-14-5-4-6-19-8-14;;/h4-6,8,13H,7,9-12,18H2,1-3H3,(H,20,22)(H,21,23);2*1H
InChIKeyMVXIIYXEUKMFDJ-UHFFFAOYSA-N
MW409.36 g/mol
LogP1.44
Rot. Bonds10

About 2-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride

2-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride (PubChem CID 119598066) has the molecular formula C17H30Cl2N4O3 and a molecular weight of 409.36 g/mol. Its IUPAC name is 2-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride
PubChem CID119598066
Molecular FormulaC17H30Cl2N4O3
Molecular Weight409.36 g/mol
Exact Mass408.17
IUPAC Name2-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)COCC(=O)NCc1cccnc1.Cl.Cl
InChIInChI=1S/C17H28N4O3.2ClH/c1-13(2)7-17(3,12-18)21-16(23)11-24-10-15(22)20-9-14-5-4-6-19-8-14;;/h4-6,8,13H,7,9-12,18H2,1-3H3,(H,20,22)(H,21,23);2*1H
InChIKeyMVXIIYXEUKMFDJ-UHFFFAOYSA-N
XLogP1.44
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.36
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride with MolForge

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Related Compounds

2-[2-oxo-2-(pyridin-3-ylmethylamino)ethoxy]acetic acid
CID 3643287
3-(aminomethyl)-N-(pyridin-3-ylmethyl)pentanamide
CID 81071444
3-[methyl-[2-[2-oxo-2-(pyridin-3-ylmethylamino)ethoxy]acetyl]amino]propanoic acid
CID 119362434
N-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride
CID 119599008
N-(3-methylbutyl)-N'-(pyridin-3-ylmethyl)propanediamide
CID 108947636
3-methoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110839174
(2R)-2-(4-tert-butylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 40609627
ethyl 3-oxo-3-(pyridin-3-ylmethylamino)propanoate
CID 110465393
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(2-methylphenyl)acetamide
CID 81424785
N-(1-amino-2,4-dimethylpentan-2-yl)-2-butoxyacetamide
CID 119598279
N-(2-hydroxy-2,4-dimethylpentyl)-2-pyridin-3-ylacetamide
CID 66178919
(2S)-2-amino-3,3-dimethyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]butanamide
CID 119860208

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride?
The IUPAC name of 2-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride (CID 119598066) is 2-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride.
What is the SMILES notation for 2-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride?
The canonical SMILES for 2-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride is CC(C)CC(C)(CN)NC(=O)COCC(=O)NCc1cccnc1.Cl.Cl.
What is the InChIKey of 2-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride?
The InChIKey is MVXIIYXEUKMFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3.2ClH/c1-13(2)7-17(3,12-18)21-16(23)11-24-10-15(22)20-9-14-5-4-6-19-8-14;;/h4-6,8,13H,7,9-12,18H2,1-3H3,(H,20,22)(H,21,23);2*1H.
What are the key properties of 2-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride?
2-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride has a molecular weight of 409.36 g/mol, XLogP of 1.44, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride is sourced from PubChem (CID 119598066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).