[5-[2-(2,4-dichlorophenyl)ethylamino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone

C19H22Cl2N4O — CID 109230127

IUPAC[5-[2-(2,4-dichlorophenyl)ethylamino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cncc(NCCc3ccc(Cl)cc3Cl)c2)CC1
InChIInChI=1S/C19H22Cl2N4O/c1-24-6-8-25(9-7-24)19(26)15-10-17(13-22-12-15)23-5-4-14-2-3-16(20)11-18(14)21/h2-3,10-13,23H,4-9H2,1H3
InChIKeyHEVZGUSKAJFFQD-UHFFFAOYSA-N
MW393.32 g/mol
LogP3.43
Rot. Bonds5

About [5-[2-(2,4-dichlorophenyl)ethylamino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone

[5-[2-(2,4-dichlorophenyl)ethylamino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 109230127) has the molecular formula C19H22Cl2N4O and a molecular weight of 393.32 g/mol. Its IUPAC name is [5-[2-(2,4-dichlorophenyl)ethylamino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-[2-(2,4-dichlorophenyl)ethylamino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID109230127
Molecular FormulaC19H22Cl2N4O
Molecular Weight393.32 g/mol
Exact Mass392.12
IUPAC Name[5-[2-(2,4-dichlorophenyl)ethylamino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cncc(NCCc3ccc(Cl)cc3Cl)c2)CC1
InChIInChI=1S/C19H22Cl2N4O/c1-24-6-8-25(9-7-24)19(26)15-10-17(13-22-12-15)23-5-4-14-2-3-16(20)11-18(14)21/h2-3,10-13,23H,4-9H2,1H3
InChIKeyHEVZGUSKAJFFQD-UHFFFAOYSA-N
XLogP3.43
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.32
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(3,4-dichloroanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109230218
[5-(3,4-difluoroanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109230234
[5-(2,6-dichloroanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109230222
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(propylamino)-3-pyridinyl]methanone
CID 109223025
1-[4-[5-[(4-chlorophenyl)methylamino]pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 109231029
[5-[2-(2-fluorophenyl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 109228397
[5-(butylamino)-3-pyridinyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 109224597
5-(tert-butylamino)-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 109239385
[4-[2-(2,4-dichlorophenyl)ethylamino]-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203694
[5-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109230077
1-[4-[5-[(2-fluorophenyl)methylamino]pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 109231026
1-[4-[5-(4-chloroanilino)pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 109231098

Frequently Asked Questions

What is the IUPAC name of [5-[2-(2,4-dichlorophenyl)ethylamino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [5-[2-(2,4-dichlorophenyl)ethylamino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone (CID 109230127) is [5-[2-(2,4-dichlorophenyl)ethylamino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-[2-(2,4-dichlorophenyl)ethylamino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [5-[2-(2,4-dichlorophenyl)ethylamino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2cncc(NCCc3ccc(Cl)cc3Cl)c2)CC1.
What is the InChIKey of [5-[2-(2,4-dichlorophenyl)ethylamino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is HEVZGUSKAJFFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N4O/c1-24-6-8-25(9-7-24)19(26)15-10-17(13-22-12-15)23-5-4-14-2-3-16(20)11-18(14)21/h2-3,10-13,23H,4-9H2,1H3.
What are the key properties of [5-[2-(2,4-dichlorophenyl)ethylamino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
[5-[2-(2,4-dichlorophenyl)ethylamino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 393.32 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(2,4-dichlorophenyl)ethylamino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 109230127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).