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

C13H20Cl2N4O — CID 102759622

IUPAC2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N-(2-methylpropyl)acetamide
SMILESCCNc1nc(NCC(=O)NCC(C)C)c(Cl)cc1Cl
InChIInChI=1S/C13H20Cl2N4O/c1-4-16-12-9(14)5-10(15)13(19-12)18-7-11(20)17-6-8(2)3/h5,8H,4,6-7H2,1-3H3,(H,17,20)(H2,16,18,19)
InChIKeyDBAQSLZRFBHNAP-UHFFFAOYSA-N
MW319.24 g/mol
LogP3.00
Rot. Bonds7

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

2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N-(2-methylpropyl)acetamide (PubChem CID 102759622) 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]amino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N-(2-methylpropyl)acetamide
PubChem CID102759622
Molecular FormulaC13H20Cl2N4O
Molecular Weight319.24 g/mol
Exact Mass318.10
IUPAC Name2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N-(2-methylpropyl)acetamide
SMILESCCNc1nc(NCC(=O)NCC(C)C)c(Cl)cc1Cl
InChIInChI=1S/C13H20Cl2N4O/c1-4-16-12-9(14)5-10(15)13(19-12)18-7-11(20)17-6-8(2)3/h5,8H,4,6-7H2,1-3H3,(H,17,20)(H2,16,18,19)
InChIKeyDBAQSLZRFBHNAP-UHFFFAOYSA-N
XLogP3.00
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.24
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N-propylacetamide
CID 102756189
1-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-3-methylbutan-2-ol
CID 102759945
N-propyl-2-[(3,5,6-trichloro-2-pyridinyl)amino]acetamide
CID 102750399
2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-N-(2-methylpropyl)acetamide
CID 113405696
N-tert-butyl-2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]propanamide
CID 102759658
3,5-dichloro-6-N-(2-cyclopropylpropyl)-2-N-ethylpyridine-2,6-diamine
CID 102759850
6-butan-2-ylsulfanyl-3,5-dichloro-N-ethylpyridin-2-amine
CID 102761307
2-[[2-(ethylamino)-7H-purin-6-yl]amino]-N-(2-methylpropyl)acetamide
CID 114786088
3,5,6-trichloro-N-ethylpyridin-2-amine
CID 102750177
3,5-dichloro-2-N-ethyl-6-N-pentan-2-ylpyridine-2,6-diamine
CID 102755564
2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-methylamino]-N-propan-2-ylacetamide
CID 102757357
3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N,2,2-trimethylpropanamide
CID 106280809

Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N-(2-methylpropyl)acetamide (CID 102759622) is 2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N-(2-methylpropyl)acetamide is CCNc1nc(NCC(=O)NCC(C)C)c(Cl)cc1Cl.
What is the InChIKey of 2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N-(2-methylpropyl)acetamide?
The InChIKey is DBAQSLZRFBHNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2N4O/c1-4-16-12-9(14)5-10(15)13(19-12)18-7-11(20)17-6-8(2)3/h5,8H,4,6-7H2,1-3H3,(H,17,20)(H2,16,18,19).
What are the key properties of 2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N-(2-methylpropyl)acetamide?
2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N-(2-methylpropyl)acetamide has a molecular weight of 319.24 g/mol, XLogP of 3.00, 7 rotatable bonds, 3 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]amino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 102759622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).