2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]-methylamino]-1-pyrrolidin-1-ylethanone

C13H18Cl2N4O — CID 102756695

IUPAC2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]-methylamino]-1-pyrrolidin-1-ylethanone
SMILESCNc1nc(N(C)CC(=O)N2CCCC2)c(Cl)cc1Cl
InChIInChI=1S/C13H18Cl2N4O/c1-16-12-9(14)7-10(15)13(17-12)18(2)8-11(20)19-5-3-4-6-19/h7H,3-6,8H2,1-2H3,(H,16,17)
InChIKeyVXFWJDOSUXEWGC-UHFFFAOYSA-N
MW317.22 g/mol
LogP2.49
Rot. Bonds4

About 2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]-methylamino]-1-pyrrolidin-1-ylethanone

2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]-methylamino]-1-pyrrolidin-1-ylethanone (PubChem CID 102756695) has the molecular formula C13H18Cl2N4O and a molecular weight of 317.22 g/mol. Its IUPAC name is 2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]-methylamino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]-methylamino]-1-pyrrolidin-1-ylethanone
PubChem CID102756695
Molecular FormulaC13H18Cl2N4O
Molecular Weight317.22 g/mol
Exact Mass316.09
IUPAC Name2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]-methylamino]-1-pyrrolidin-1-ylethanone
SMILESCNc1nc(N(C)CC(=O)N2CCCC2)c(Cl)cc1Cl
InChIInChI=1S/C13H18Cl2N4O/c1-16-12-9(14)7-10(15)13(17-12)18(2)8-11(20)19-5-3-4-6-19/h7H,3-6,8H2,1-2H3,(H,16,17)
InChIKeyVXFWJDOSUXEWGC-UHFFFAOYSA-N
XLogP2.49
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 52.49
H-Bond Donors ≤ 51
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
2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 55228921
2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-methylamino]acetamide
CID 102761628
2-[(6-chloro-5-methylpyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 63728798
2-[(6-amino-5-chloropyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 106811767
2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]-ethylamino]acetamide
CID 103104349
2-[(6-chloro-2-ethylpyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 80936172
1-piperidin-1-yl-2-[(3,5,6-trichloro-2-pyridinyl)amino]ethanone
CID 102751793
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-chlorophenyl)acetamide
CID 113171182
2-[2-(aminomethyl)-3-chloro-N-methylanilino]-1-pyrrolidin-1-ylethanone
CID 61441999
2-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 112698994
2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]-methylamino]-1-pyrrolidin-1-ylethanone
CID 80799994

Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]-methylamino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]-methylamino]-1-pyrrolidin-1-ylethanone (CID 102756695) is 2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]-methylamino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]-methylamino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]-methylamino]-1-pyrrolidin-1-ylethanone is CNc1nc(N(C)CC(=O)N2CCCC2)c(Cl)cc1Cl.
What is the InChIKey of 2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]-methylamino]-1-pyrrolidin-1-ylethanone?
The InChIKey is VXFWJDOSUXEWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N4O/c1-16-12-9(14)7-10(15)13(17-12)18(2)8-11(20)19-5-3-4-6-19/h7H,3-6,8H2,1-2H3,(H,16,17).
What are the key properties of 2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]-methylamino]-1-pyrrolidin-1-ylethanone?
2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]-methylamino]-1-pyrrolidin-1-ylethanone has a molecular weight of 317.22 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 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]-methylamino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 102756695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).