[4-(ethylamino)-2-pyridinyl]-(4-ethyl-3-methylpiperazin-1-yl)methanone

C15H24N4O — CID 63604449

IUPAC[4-(ethylamino)-2-pyridinyl]-(4-ethyl-3-methylpiperazin-1-yl)methanone
SMILESCCNc1ccnc(C(=O)N2CCN(CC)C(C)C2)c1
InChIInChI=1S/C15H24N4O/c1-4-16-13-6-7-17-14(10-13)15(20)19-9-8-18(5-2)12(3)11-19/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,16,17)
InChIKeyZKEORZLAIWFIME-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.68
Rot. Bonds4

About [4-(ethylamino)-2-pyridinyl]-(4-ethyl-3-methylpiperazin-1-yl)methanone

[4-(ethylamino)-2-pyridinyl]-(4-ethyl-3-methylpiperazin-1-yl)methanone (PubChem CID 63604449) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is [4-(ethylamino)-2-pyridinyl]-(4-ethyl-3-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(ethylamino)-2-pyridinyl]-(4-ethyl-3-methylpiperazin-1-yl)methanone
PubChem CID63604449
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name[4-(ethylamino)-2-pyridinyl]-(4-ethyl-3-methylpiperazin-1-yl)methanone
SMILESCCNc1ccnc(C(=O)N2CCN(CC)C(C)C2)c1
InChIInChI=1S/C15H24N4O/c1-4-16-13-6-7-17-14(10-13)15(20)19-9-8-18(5-2)12(3)11-19/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,16,17)
InChIKeyZKEORZLAIWFIME-UHFFFAOYSA-N
XLogP1.68
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[4-(ethylamino)-2-pyridinyl]methanone
CID 104960428
[4-(ethylamino)-2-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 62168232
[4-(dimethylamino)piperidin-1-yl]-[4-(ethylamino)-2-pyridinyl]methanone
CID 62169404
[4-(ethylamino)-3-pyridinyl]-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 81241066
[4-(ethylamino)-2-pyridinyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103358193
[4-(ethylamino)-2-pyridinyl]-(3-methylmorpholin-4-yl)methanone
CID 62167827
2-azabicyclo[2.2.1]heptan-2-yl-[4-(ethylamino)-2-pyridinyl]methanone
CID 62173507
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[4-(ethylamino)-2-pyridinyl]methanone
CID 64576261
4-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-2-carboxamide
CID 79311218
[4-(ethylamino)-2-pyridinyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62175903
[4-(3-methylbutylamino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208113
[4-(ethylamino)-2-pyridinyl]-(3-ethylmorpholin-4-yl)methanone
CID 55047074

Frequently Asked Questions

What is the IUPAC name of [4-(ethylamino)-2-pyridinyl]-(4-ethyl-3-methylpiperazin-1-yl)methanone?
The IUPAC name of [4-(ethylamino)-2-pyridinyl]-(4-ethyl-3-methylpiperazin-1-yl)methanone (CID 63604449) is [4-(ethylamino)-2-pyridinyl]-(4-ethyl-3-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(ethylamino)-2-pyridinyl]-(4-ethyl-3-methylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(ethylamino)-2-pyridinyl]-(4-ethyl-3-methylpiperazin-1-yl)methanone is CCNc1ccnc(C(=O)N2CCN(CC)C(C)C2)c1.
What is the InChIKey of [4-(ethylamino)-2-pyridinyl]-(4-ethyl-3-methylpiperazin-1-yl)methanone?
The InChIKey is ZKEORZLAIWFIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-4-16-13-6-7-17-14(10-13)15(20)19-9-8-18(5-2)12(3)11-19/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,16,17).
What are the key properties of [4-(ethylamino)-2-pyridinyl]-(4-ethyl-3-methylpiperazin-1-yl)methanone?
[4-(ethylamino)-2-pyridinyl]-(4-ethyl-3-methylpiperazin-1-yl)methanone has a molecular weight of 276.38 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylamino)-2-pyridinyl]-(4-ethyl-3-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 63604449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).