[6-(4-ethoxyanilino)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone

C20H26N4O2 — CID 109154844

IUPAC[6-(4-ethoxyanilino)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCOc1ccc(Nc2ccc(C(=O)N3CCN(CC)CC3)cn2)cc1
InChIInChI=1S/C20H26N4O2/c1-3-23-11-13-24(14-12-23)20(25)16-5-10-19(21-15-16)22-17-6-8-18(9-7-17)26-4-2/h5-10,15H,3-4,11-14H2,1-2H3,(H,21,22)
InChIKeyGBEXESVHUZDHPS-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.00
Rot. Bonds6

About [6-(4-ethoxyanilino)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone

[6-(4-ethoxyanilino)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone (PubChem CID 109154844) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is [6-(4-ethoxyanilino)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-(4-ethoxyanilino)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
PubChem CID109154844
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name[6-(4-ethoxyanilino)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCOc1ccc(Nc2ccc(C(=O)N3CCN(CC)CC3)cn2)cc1
InChIInChI=1S/C20H26N4O2/c1-3-23-11-13-24(14-12-23)20(25)16-5-10-19(21-15-16)22-17-6-8-18(9-7-17)26-4-2/h5-10,15H,3-4,11-14H2,1-2H3,(H,21,22)
InChIKeyGBEXESVHUZDHPS-UHFFFAOYSA-N
XLogP3.00
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxyphenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide
CID 109046298
ethyl 4-[6-(4-ethylanilino)pyridine-3-carbonyl]piperazine-1-carboxylate
CID 109160325
(4-ethylpiperazin-1-yl)-[6-(propylamino)-3-pyridinyl]methanone
CID 62172305
aziridin-1-yl-(4-ethoxyphenyl)methanone
CID 121216936
N-(4-ethoxyphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109084493
(4-ethylpiperazin-1-yl)-[6-(2-methoxy-5-methylanilino)-3-pyridinyl]methanone
CID 109154845
6-(4-acetamidoanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109164185
N-[4-[[5-(4-ethylpiperazine-1-carbonyl)pyrimidin-2-yl]amino]phenyl]acetamide
CID 109254112
[6-(4-ethylanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109159635
N-[6-(4-ethoxyanilino)-3-pyridinyl]acetamide
CID 113019659
methyl 4-[[5-[(4-ethoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109164188
[6-(4-chloroanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 1441202

Frequently Asked Questions

What is the IUPAC name of [6-(4-ethoxyanilino)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of [6-(4-ethoxyanilino)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone (CID 109154844) is [6-(4-ethoxyanilino)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-(4-ethoxyanilino)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for [6-(4-ethoxyanilino)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone is CCOc1ccc(Nc2ccc(C(=O)N3CCN(CC)CC3)cn2)cc1.
What is the InChIKey of [6-(4-ethoxyanilino)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is GBEXESVHUZDHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-3-23-11-13-24(14-12-23)20(25)16-5-10-19(21-15-16)22-17-6-8-18(9-7-17)26-4-2/h5-10,15H,3-4,11-14H2,1-2H3,(H,21,22).
What are the key properties of [6-(4-ethoxyanilino)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone?
[6-(4-ethoxyanilino)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 354.45 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-ethoxyanilino)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 109154844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).