2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-N,N-diethylacetamide

C12H18Cl2N4O — CID 102759629

IUPAC2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNc1nc(NC)c(Cl)cc1Cl
InChIInChI=1S/C12H18Cl2N4O/c1-4-18(5-2)10(19)7-16-12-9(14)6-8(13)11(15-3)17-12/h6H,4-5,7H2,1-3H3,(H2,15,16,17)
InChIKeyKUQOALLCRJYESI-UHFFFAOYSA-N
MW305.21 g/mol
LogP2.71
Rot. Bonds6

About 2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-N,N-diethylacetamide

2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-N,N-diethylacetamide (PubChem CID 102759629) has the molecular formula C12H18Cl2N4O and a molecular weight of 305.21 g/mol. Its IUPAC name is 2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-N,N-diethylacetamide
PubChem CID102759629
Molecular FormulaC12H18Cl2N4O
Molecular Weight305.21 g/mol
Exact Mass304.09
IUPAC Name2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNc1nc(NC)c(Cl)cc1Cl
InChIInChI=1S/C12H18Cl2N4O/c1-4-18(5-2)10(19)7-16-12-9(14)6-8(13)11(15-3)17-12/h6H,4-5,7H2,1-3H3,(H2,15,16,17)
InChIKeyKUQOALLCRJYESI-UHFFFAOYSA-N
XLogP2.71
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.21
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]-N,N-diethylacetamide
CID 102762537
3-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]-N,N-diethylpropanamide
CID 102762551
2-(3,5-dichloroanilino)-N,N-diethylacetamide
CID 28576153
ethyl 2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]acetate
CID 102761686
3,5-dichloro-6-N-[2-(dimethylamino)ethyl]-2-N-methylpyridine-2,6-diamine
CID 102755513
3,5-dichloro-6-N-(3-ethoxypropyl)-2-N-methylpyridine-2,6-diamine
CID 102755734
3,5-dichloro-6-N-decyl-2-N-methylpyridine-2,6-diamine
CID 102759054
2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]-ethylamino]acetamide
CID 103104349
3-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]propane-1,2-diol
CID 102758874
N,N-diethyl-2-[(3-methylquinoxalin-2-yl)amino]acetamide
CID 47419458
3-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-3-methylpentan-1-ol
CID 106179085
2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N-propylacetamide
CID 102756189

Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-N,N-diethylacetamide?
The IUPAC name of 2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-N,N-diethylacetamide (CID 102759629) is 2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-N,N-diethylacetamide?
The canonical SMILES for 2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-N,N-diethylacetamide is CCN(CC)C(=O)CNc1nc(NC)c(Cl)cc1Cl.
What is the InChIKey of 2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-N,N-diethylacetamide?
The InChIKey is KUQOALLCRJYESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N4O/c1-4-18(5-2)10(19)7-16-12-9(14)6-8(13)11(15-3)17-12/h6H,4-5,7H2,1-3H3,(H2,15,16,17).
What are the key properties of 2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-N,N-diethylacetamide?
2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-N,N-diethylacetamide has a molecular weight of 305.21 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-N,N-diethylacetamide is sourced from PubChem (CID 102759629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).