2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-methylamino]-N-propan-2-ylacetamide

C13H20Cl2N4O — CID 102757357

IUPAC2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-methylamino]-N-propan-2-ylacetamide
SMILESCCNc1nc(N(C)CC(=O)NC(C)C)c(Cl)cc1Cl
InChIInChI=1S/C13H20Cl2N4O/c1-5-16-12-9(14)6-10(15)13(18-12)19(4)7-11(20)17-8(2)3/h6,8H,5,7H2,1-4H3,(H,16,18)(H,17,20)
InChIKeyASERRSWTIDBTLN-UHFFFAOYSA-N
MW319.24 g/mol
LogP2.78
Rot. Bonds6

About 2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-methylamino]-N-propan-2-ylacetamide

2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-methylamino]-N-propan-2-ylacetamide (PubChem CID 102757357) has the molecular formula C13H20Cl2N4O and a molecular weight of 319.24 g/mol. Its IUPAC name is 2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-methylamino]-N-propan-2-ylacetamide
PubChem CID102757357
Molecular FormulaC13H20Cl2N4O
Molecular Weight319.24 g/mol
Exact Mass318.10
IUPAC Name2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-methylamino]-N-propan-2-ylacetamide
SMILESCCNc1nc(N(C)CC(=O)NC(C)C)c(Cl)cc1Cl
InChIInChI=1S/C13H20Cl2N4O/c1-5-16-12-9(14)6-10(15)13(18-12)19(4)7-11(20)17-8(2)3/h6,8H,5,7H2,1-4H3,(H,16,18)(H,17,20)
InChIKeyASERRSWTIDBTLN-UHFFFAOYSA-N
XLogP2.78
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.24
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-ethylamino]-N-methylacetamide
CID 102756769
2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide
CID 80787141
3,5-dichloro-6-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-6-N-methylpyridine-2,6-diamine
CID 102757406
2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide
CID 80821237
2-[cyclopentyl-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]acetamide
CID 102757258
2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-methylamino]acetamide
CID 102761628
2-[(6-chloro-2-propylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 80938390
2-[butyl-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]acetamide
CID 102757385
2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N-(2-methylpropyl)acetamide
CID 102759622
3,5-dichloro-2-N,6-N-dimethyl-6-N-(2-methylpropyl)pyridine-2,6-diamine
CID 102755864

Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-methylamino]-N-propan-2-ylacetamide (CID 102757357) is 2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-methylamino]-N-propan-2-ylacetamide is CCNc1nc(N(C)CC(=O)NC(C)C)c(Cl)cc1Cl.
What is the InChIKey of 2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-methylamino]-N-propan-2-ylacetamide?
The InChIKey is ASERRSWTIDBTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2N4O/c1-5-16-12-9(14)6-10(15)13(18-12)19(4)7-11(20)17-8(2)3/h6,8H,5,7H2,1-4H3,(H,16,18)(H,17,20).
What are the key properties of 2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-methylamino]-N-propan-2-ylacetamide?
2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-methylamino]-N-propan-2-ylacetamide has a molecular weight of 319.24 g/mol, XLogP of 2.78, 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]-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 102757357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).