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

C14H20Cl2N4O — CID 102756697

IUPAC2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-methylamino]-1-pyrrolidin-1-ylethanone
SMILESCCNc1nc(N(C)CC(=O)N2CCCC2)c(Cl)cc1Cl
InChIInChI=1S/C14H20Cl2N4O/c1-3-17-13-10(15)8-11(16)14(18-13)19(2)9-12(21)20-6-4-5-7-20/h8H,3-7,9H2,1-2H3,(H,17,18)
InChIKeyRTFJAEZYDGXWHZ-UHFFFAOYSA-N
MW331.25 g/mol
LogP2.88
Rot. Bonds5

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

2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-methylamino]-1-pyrrolidin-1-ylethanone (PubChem CID 102756697) has the molecular formula C14H20Cl2N4O and a molecular weight of 331.25 g/mol. Its IUPAC name is 2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-methylamino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-methylamino]-1-pyrrolidin-1-ylethanone
PubChem CID102756697
Molecular FormulaC14H20Cl2N4O
Molecular Weight331.25 g/mol
Exact Mass330.10
IUPAC Name2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-methylamino]-1-pyrrolidin-1-ylethanone
SMILESCCNc1nc(N(C)CC(=O)N2CCCC2)c(Cl)cc1Cl
InChIInChI=1S/C14H20Cl2N4O/c1-3-17-13-10(15)8-11(16)14(18-13)19(2)9-12(21)20-6-4-5-7-20/h8H,3-7,9H2,1-2H3,(H,17,18)
InChIKeyRTFJAEZYDGXWHZ-UHFFFAOYSA-N
XLogP2.88
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.25
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]-methylamino]-1-pyrrolidin-1-ylethanone
CID 102756695
2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-methylamino]-N-propan-2-ylacetamide
CID 102757357
2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]-methylamino]-1-pyrrolidin-1-ylethanone
CID 80799994
2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]-methylamino]-1-pyrrolidin-1-ylethanone
CID 80799693
2-[cyclopentyl-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]acetamide
CID 102757258
1-piperidin-1-yl-2-[(3,5,6-trichloro-2-pyridinyl)amino]ethanone
CID 102751793
2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 55228921
2-[(6-chloro-2-ethylpyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 80936172
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-[(6-chloro-5-methylpyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 63728798
[5-chloro-6-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 60561390

Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-methylamino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-methylamino]-1-pyrrolidin-1-ylethanone (CID 102756697) is 2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-methylamino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-methylamino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-methylamino]-1-pyrrolidin-1-ylethanone is CCNc1nc(N(C)CC(=O)N2CCCC2)c(Cl)cc1Cl.
What is the InChIKey of 2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-methylamino]-1-pyrrolidin-1-ylethanone?
The InChIKey is RTFJAEZYDGXWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N4O/c1-3-17-13-10(15)8-11(16)14(18-13)19(2)9-12(21)20-6-4-5-7-20/h8H,3-7,9H2,1-2H3,(H,17,18).
What are the key properties of 2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-methylamino]-1-pyrrolidin-1-ylethanone?
2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-methylamino]-1-pyrrolidin-1-ylethanone has a molecular weight of 331.25 g/mol, XLogP of 2.88, 5 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-(ethylamino)-2-pyridinyl]-methylamino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 102756697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).