[4-(3,5-dichloroanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone

C18H20Cl2N4O — CID 109208539

IUPAC[4-(3,5-dichloroanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cc(Nc3cc(Cl)cc(Cl)c3)ccn2)CC1
InChIInChI=1S/C18H20Cl2N4O/c1-2-23-5-7-24(8-6-23)18(25)17-12-15(3-4-21-17)22-16-10-13(19)9-14(20)11-16/h3-4,9-12H,2,5-8H2,1H3,(H,21,22)
InChIKeyBNIMMQHOVJNONG-UHFFFAOYSA-N
MW379.29 g/mol
LogP3.91
Rot. Bonds4

About [4-(3,5-dichloroanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone

[4-(3,5-dichloroanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone (PubChem CID 109208539) has the molecular formula C18H20Cl2N4O and a molecular weight of 379.29 g/mol. Its IUPAC name is [4-(3,5-dichloroanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(3,5-dichloroanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
PubChem CID109208539
Molecular FormulaC18H20Cl2N4O
Molecular Weight379.29 g/mol
Exact Mass378.10
IUPAC Name[4-(3,5-dichloroanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cc(Nc3cc(Cl)cc(Cl)c3)ccn2)CC1
InChIInChI=1S/C18H20Cl2N4O/c1-2-23-5-7-24(8-6-23)18(25)17-12-15(3-4-21-17)22-16-10-13(19)9-14(20)11-16/h3-4,9-12H,2,5-8H2,1H3,(H,21,22)
InChIKeyBNIMMQHOVJNONG-UHFFFAOYSA-N
XLogP3.91
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile
CID 109208546
[4-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109208531
[4-(3-chloroanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208151
2-[[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile
CID 109208545
methyl 2-[[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzoate
CID 109208518
1-[4-[4-(3,4-dichloroanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209127
1-[4-[4-(3-chloro-4-fluoroanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209092
(4-ethylpiperazin-1-yl)-[4-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]methanone
CID 109208424
[4-(3,5-dimethylanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208134
[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109084137
[4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109208435
azepan-1-yl-[4-(4-ethylanilino)-2-pyridinyl]methanone
CID 109218552

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dichloroanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of [4-(3,5-dichloroanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone (CID 109208539) is [4-(3,5-dichloroanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(3,5-dichloroanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(3,5-dichloroanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2cc(Nc3cc(Cl)cc(Cl)c3)ccn2)CC1.
What is the InChIKey of [4-(3,5-dichloroanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is BNIMMQHOVJNONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N4O/c1-2-23-5-7-24(8-6-23)18(25)17-12-15(3-4-21-17)22-16-10-13(19)9-14(20)11-16/h3-4,9-12H,2,5-8H2,1H3,(H,21,22).
What are the key properties of [4-(3,5-dichloroanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone?
[4-(3,5-dichloroanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 379.29 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dichloroanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 109208539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).