2-[butyl-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]acetamide

C13H20Cl2N4O — CID 102757385

IUPAC2-[butyl-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]acetamide
SMILESCCCCN(CC(N)=O)c1nc(NCC)c(Cl)cc1Cl
InChIInChI=1S/C13H20Cl2N4O/c1-3-5-6-19(8-11(16)20)13-10(15)7-9(14)12(18-13)17-4-2/h7H,3-6,8H2,1-2H3,(H2,16,20)(H,17,18)
InChIKeyGXFPIAWVASNEIU-UHFFFAOYSA-N
MW319.24 g/mol
LogP2.91
Rot. Bonds8

About 2-[butyl-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]acetamide

2-[butyl-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]acetamide (PubChem CID 102757385) has the molecular formula C13H20Cl2N4O and a molecular weight of 319.24 g/mol. Its IUPAC name is 2-[butyl-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]acetamide.

Molecular Properties

Compound Name2-[butyl-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]acetamide
PubChem CID102757385
Molecular FormulaC13H20Cl2N4O
Molecular Weight319.24 g/mol
Exact Mass318.10
IUPAC Name2-[butyl-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]acetamide
SMILESCCCCN(CC(N)=O)c1nc(NCC)c(Cl)cc1Cl
InChIInChI=1S/C13H20Cl2N4O/c1-3-5-6-19(8-11(16)20)13-10(15)7-9(14)12(18-13)17-4-2/h7H,3-6,8H2,1-2H3,(H2,16,20)(H,17,18)
InChIKeyGXFPIAWVASNEIU-UHFFFAOYSA-N
XLogP2.91
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.24
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N,6-N-dibutyl-3,5-dichloro-2-N-propylpyridine-2,6-diamine
CID 102754456
2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]-ethylamino]acetamide
CID 103104349
2-[cyclopentyl-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]acetamide
CID 102757258
2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-ethylamino]-N-methylacetamide
CID 102756769
3,5-dichloro-6-N-[3-(dimethylamino)propyl]-2-N,6-N-diethylpyridine-2,6-diamine
CID 102998847
6-[(2-amino-2-oxoethyl)-butylamino]-5-chloropyridine-3-carboxylic acid
CID 55003577
3,5-dichloro-6-N-[2-(dimethylamino)ethyl]-2-N-ethyl-6-N-propylpyridine-2,6-diamine
CID 102757691
2-[butyl-[6-(ethylamino)-3-nitro-2-pyridinyl]amino]acetamide
CID 80788637
2-[butyl-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]acetamide
CID 80972549
3,5-dichloro-2-N-ethyl-6-N-methyl-6-N-propan-2-ylpyridine-2,6-diamine
CID 102755335
2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-methylamino]acetamide
CID 102761628
2-[butyl-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]amino]acetamide
CID 62890626

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]acetamide?
The IUPAC name of 2-[butyl-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]acetamide (CID 102757385) is 2-[butyl-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]acetamide.
What is the SMILES notation for 2-[butyl-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]acetamide?
The canonical SMILES for 2-[butyl-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]acetamide is CCCCN(CC(N)=O)c1nc(NCC)c(Cl)cc1Cl.
What is the InChIKey of 2-[butyl-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]acetamide?
The InChIKey is GXFPIAWVASNEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2N4O/c1-3-5-6-19(8-11(16)20)13-10(15)7-9(14)12(18-13)17-4-2/h7H,3-6,8H2,1-2H3,(H2,16,20)(H,17,18).
What are the key properties of 2-[butyl-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]acetamide?
2-[butyl-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]acetamide has a molecular weight of 319.24 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]acetamide is sourced from PubChem (CID 102757385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).