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

C18H20Cl2N4O — CID 109168715

IUPAC[2-(2,5-dichloroanilino)-4-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2ccnc(Nc3cc(Cl)ccc3Cl)c2)CC1
InChIInChI=1S/C18H20Cl2N4O/c1-2-23-7-9-24(10-8-23)18(25)13-5-6-21-17(11-13)22-16-12-14(19)3-4-15(16)20/h3-6,11-12H,2,7-10H2,1H3,(H,21,22)
InChIKeyAPNDZFOFPBQRQW-UHFFFAOYSA-N
MW379.29 g/mol
LogP3.91
Rot. Bonds4

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

[2-(2,5-dichloroanilino)-4-pyridinyl]-(4-ethylpiperazin-1-yl)methanone (PubChem CID 109168715) has the molecular formula C18H20Cl2N4O and a molecular weight of 379.29 g/mol. Its IUPAC name is [2-(2,5-dichloroanilino)-4-pyridinyl]-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(2,5-dichloroanilino)-4-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
PubChem CID109168715
Molecular FormulaC18H20Cl2N4O
Molecular Weight379.29 g/mol
Exact Mass378.10
IUPAC Name[2-(2,5-dichloroanilino)-4-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2ccnc(Nc3cc(Cl)ccc3Cl)c2)CC1
InChIInChI=1S/C18H20Cl2N4O/c1-2-23-7-9-24(10-8-23)18(25)13-5-6-21-17(11-13)22-16-12-14(19)3-4-15(16)20/h3-6,11-12H,2,7-10H2,1H3,(H,21,22)
InChIKeyAPNDZFOFPBQRQW-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

[2-[2-(4-chlorophenyl)ethylamino]-4-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109168648
(4-ethylpiperazin-1-yl)-[2-(2-methoxy-5-methylanilino)-4-pyridinyl]methanone
CID 109168685
N-(2,5-dichlorophenyl)-4-ethyl-1,4-diazepane-1-carboxamide
CID 47090156
N-(2,5-dichlorophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208689
N-(3-chloro-2-methylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109084484
(4-methylpiperazin-1-yl)-[2-(2,3,4-trifluoroanilino)-4-pyridinyl]methanone
CID 109168549
2-(2,5-dichloroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167133
2-(2-chloro-5-fluoroanilino)pyridine-4-carboxylic acid
CID 107528839
N-(2,5-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6465282
[6-(4-chloro-2-methylanilino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109367382
2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone;ethane
CID 143404012
1-[4-[6-(2,5-dichloroanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone
CID 109117331

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dichloroanilino)-4-pyridinyl]-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of [2-(2,5-dichloroanilino)-4-pyridinyl]-(4-ethylpiperazin-1-yl)methanone (CID 109168715) is [2-(2,5-dichloroanilino)-4-pyridinyl]-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(2,5-dichloroanilino)-4-pyridinyl]-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(2,5-dichloroanilino)-4-pyridinyl]-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2ccnc(Nc3cc(Cl)ccc3Cl)c2)CC1.
What is the InChIKey of [2-(2,5-dichloroanilino)-4-pyridinyl]-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is APNDZFOFPBQRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N4O/c1-2-23-7-9-24(10-8-23)18(25)13-5-6-21-17(11-13)22-16-12-14(19)3-4-15(16)20/h3-6,11-12H,2,7-10H2,1H3,(H,21,22).
What are the key properties of [2-(2,5-dichloroanilino)-4-pyridinyl]-(4-ethylpiperazin-1-yl)methanone?
[2-(2,5-dichloroanilino)-4-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 [2-(2,5-dichloroanilino)-4-pyridinyl]-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 109168715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).