2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-ethylamino]-N-methylacetamide

C12H18Cl2N4O — CID 102756769

IUPAC2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-ethylamino]-N-methylacetamide
SMILESCCNc1nc(N(CC)CC(=O)NC)c(Cl)cc1Cl
InChIInChI=1S/C12H18Cl2N4O/c1-4-16-11-8(13)6-9(14)12(17-11)18(5-2)7-10(19)15-3/h6H,4-5,7H2,1-3H3,(H,15,19)(H,16,17)
InChIKeyASHDZDNGJCYSBW-UHFFFAOYSA-N
MW305.21 g/mol
LogP2.39
Rot. Bonds6

About 2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-ethylamino]-N-methylacetamide

2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-ethylamino]-N-methylacetamide (PubChem CID 102756769) has the molecular formula C12H18Cl2N4O and a molecular weight of 305.21 g/mol. Its IUPAC name is 2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-ethylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-ethylamino]-N-methylacetamide
PubChem CID102756769
Molecular FormulaC12H18Cl2N4O
Molecular Weight305.21 g/mol
Exact Mass304.09
IUPAC Name2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-ethylamino]-N-methylacetamide
SMILESCCNc1nc(N(CC)CC(=O)NC)c(Cl)cc1Cl
InChIInChI=1S/C12H18Cl2N4O/c1-4-16-11-8(13)6-9(14)12(17-11)18(5-2)7-10(19)15-3/h6H,4-5,7H2,1-3H3,(H,15,19)(H,16,17)
InChIKeyASHDZDNGJCYSBW-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]-ethylamino]acetamide
CID 103104349
2-[butyl-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]acetamide
CID 102757385
3,5-dichloro-6-N-[3-(dimethylamino)propyl]-2-N,6-N-diethylpyridine-2,6-diamine
CID 102998847
2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-methylamino]-N-propan-2-ylacetamide
CID 102757357
3,5-dichloro-6-N-[2-(dimethylamino)ethyl]-2-N-ethyl-6-N-propylpyridine-2,6-diamine
CID 102757691
2-[cyclopentyl-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]acetamide
CID 102757258
2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-methylamino]-1-pyrrolidin-1-ylethanone
CID 102756697
3,5-dichloro-2-N-ethyl-6-N-methyl-6-N-propan-2-ylpyridine-2,6-diamine
CID 102755335
3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N,2,2-trimethylpropanamide
CID 106280809
1-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-ethylamino]-2-methylpropan-2-ol
CID 102762264
3,5,6-trichloro-N-ethylpyridin-2-amine
CID 102750177
3,5-dichloro-6-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-6-N-methylpyridine-2,6-diamine
CID 102757406

Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-ethylamino]-N-methylacetamide?
The IUPAC name of 2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-ethylamino]-N-methylacetamide (CID 102756769) is 2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-ethylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-ethylamino]-N-methylacetamide?
The canonical SMILES for 2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-ethylamino]-N-methylacetamide is CCNc1nc(N(CC)CC(=O)NC)c(Cl)cc1Cl.
What is the InChIKey of 2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-ethylamino]-N-methylacetamide?
The InChIKey is ASHDZDNGJCYSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N4O/c1-4-16-11-8(13)6-9(14)12(17-11)18(5-2)7-10(19)15-3/h6H,4-5,7H2,1-3H3,(H,15,19)(H,16,17).
What are the key properties of 2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-ethylamino]-N-methylacetamide?
2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-ethylamino]-N-methylacetamide has a molecular weight of 305.21 g/mol, XLogP of 2.39, 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-(ethylamino)-2-pyridinyl]-ethylamino]-N-methylacetamide is sourced from PubChem (CID 102756769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).