[4-[2-(2,4-dichlorophenyl)ethylamino]-2-pyridinyl]-pyrrolidin-1-ylmethanone

C18H19Cl2N3O — CID 109203694

IUPAC[4-[2-(2,4-dichlorophenyl)ethylamino]-2-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(NCCc2ccc(Cl)cc2Cl)ccn1)N1CCCC1
InChIInChI=1S/C18H19Cl2N3O/c19-14-4-3-13(16(20)11-14)5-7-21-15-6-8-22-17(12-15)18(24)23-9-1-2-10-23/h3-4,6,8,11-12H,1-2,5,7,9-10H2,(H,21,22)
InChIKeyVERZHEDGKGICNH-UHFFFAOYSA-N
MW364.28 g/mol
LogP4.28
Rot. Bonds5

About [4-[2-(2,4-dichlorophenyl)ethylamino]-2-pyridinyl]-pyrrolidin-1-ylmethanone

[4-[2-(2,4-dichlorophenyl)ethylamino]-2-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 109203694) has the molecular formula C18H19Cl2N3O and a molecular weight of 364.28 g/mol. Its IUPAC name is [4-[2-(2,4-dichlorophenyl)ethylamino]-2-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[2-(2,4-dichlorophenyl)ethylamino]-2-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID109203694
Molecular FormulaC18H19Cl2N3O
Molecular Weight364.28 g/mol
Exact Mass363.09
IUPAC Name[4-[2-(2,4-dichlorophenyl)ethylamino]-2-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(NCCc2ccc(Cl)cc2Cl)ccn1)N1CCCC1
InChIInChI=1S/C18H19Cl2N3O/c19-14-4-3-13(16(20)11-14)5-7-21-15-6-8-22-17(12-15)18(24)23-9-1-2-10-23/h3-4,6,8,11-12H,1-2,5,7,9-10H2,(H,21,22)
InChIKeyVERZHEDGKGICNH-UHFFFAOYSA-N
XLogP4.28
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.28
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2,4-dichlorophenyl)ethylamino]-N-propan-2-ylpyridine-2-carboxamide
CID 109201372
[6-[2-(2,4-dichlorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109362953
[4-(3-methylbutylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204430
N-[2-(2,4-dichlorophenyl)ethyl]-4-(2-methoxyethylamino)pyridine-2-carboxamide
CID 109205915
[4-(2-methylpropylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109203044
[4-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205100
[4-(2-chloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203723
azepan-1-yl-[4-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]methanone
CID 109214460
azepan-1-yl-[4-(pyridin-4-ylmethylamino)-2-pyridinyl]methanone
CID 109213422
1-[4-[4-[(4-chlorophenyl)methylamino]pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209018
[5-[2-(2,4-dichlorophenyl)ethylamino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109230127
azepan-1-yl-[4-[(2-methylphenyl)methylamino]-2-pyridinyl]methanone
CID 109210082

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2,4-dichlorophenyl)ethylamino]-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[2-(2,4-dichlorophenyl)ethylamino]-2-pyridinyl]-pyrrolidin-1-ylmethanone (CID 109203694) is [4-[2-(2,4-dichlorophenyl)ethylamino]-2-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[2-(2,4-dichlorophenyl)ethylamino]-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[2-(2,4-dichlorophenyl)ethylamino]-2-pyridinyl]-pyrrolidin-1-ylmethanone is O=C(c1cc(NCCc2ccc(Cl)cc2Cl)ccn1)N1CCCC1.
What is the InChIKey of [4-[2-(2,4-dichlorophenyl)ethylamino]-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is VERZHEDGKGICNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O/c19-14-4-3-13(16(20)11-14)5-7-21-15-6-8-22-17(12-15)18(24)23-9-1-2-10-23/h3-4,6,8,11-12H,1-2,5,7,9-10H2,(H,21,22).
What are the key properties of [4-[2-(2,4-dichlorophenyl)ethylamino]-2-pyridinyl]-pyrrolidin-1-ylmethanone?
[4-[2-(2,4-dichlorophenyl)ethylamino]-2-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 364.28 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2,4-dichlorophenyl)ethylamino]-2-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 109203694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).