[2-(ethylamino)-4-pyridinyl]-(3,3,4-trimethylpiperazin-1-yl)methanone

C15H24N4O — CID 63614802

IUPAC[2-(ethylamino)-4-pyridinyl]-(3,3,4-trimethylpiperazin-1-yl)methanone
SMILESCCNc1cc(C(=O)N2CCN(C)C(C)(C)C2)ccn1
InChIInChI=1S/C15H24N4O/c1-5-16-13-10-12(6-7-17-13)14(20)19-9-8-18(4)15(2,3)11-19/h6-7,10H,5,8-9,11H2,1-4H3,(H,16,17)
InChIKeyACTQNBWYYROYQN-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.68
Rot. Bonds3

About [2-(ethylamino)-4-pyridinyl]-(3,3,4-trimethylpiperazin-1-yl)methanone

[2-(ethylamino)-4-pyridinyl]-(3,3,4-trimethylpiperazin-1-yl)methanone (PubChem CID 63614802) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is [2-(ethylamino)-4-pyridinyl]-(3,3,4-trimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(ethylamino)-4-pyridinyl]-(3,3,4-trimethylpiperazin-1-yl)methanone
PubChem CID63614802
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name[2-(ethylamino)-4-pyridinyl]-(3,3,4-trimethylpiperazin-1-yl)methanone
SMILESCCNc1cc(C(=O)N2CCN(C)C(C)(C)C2)ccn1
InChIInChI=1S/C15H24N4O/c1-5-16-13-10-12(6-7-17-13)14(20)19-9-8-18(4)15(2,3)11-19/h6-7,10H,5,8-9,11H2,1-4H3,(H,16,17)
InChIKeyACTQNBWYYROYQN-UHFFFAOYSA-N
XLogP1.68
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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

(2-bromo-4-pyridinyl)-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 114037418
[2-(ethylamino)-4-pyridinyl]-thiomorpholin-4-ylmethanone
CID 55042424
[2-(ethylamino)-4-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 62942527
[3-chloro-6-(ethylamino)-2-pyridinyl]-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 63615127
[3-(diethylamino)pyrrolidin-1-yl]-[2-(ethylamino)-4-pyridinyl]methanone
CID 63174668
[2-(ethylamino)phenyl]-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 63620069
(2,4-dimethylpiperazin-1-yl)-[2-(ethylamino)-4-pyridinyl]methanone
CID 103738174
[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 70720563
(3,5-dihydroxyphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 107703961
(6-chloro-3-pyridinyl)-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 63635890
3,4-dihydro-2H-quinolin-1-yl-[2-(ethylamino)-4-pyridinyl]methanone
CID 62172303
ethyl 4-[2-[2-(dimethylamino)ethylamino]pyridine-4-carbonyl]piperazine-1-carboxylate
CID 109167814

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-4-pyridinyl]-(3,3,4-trimethylpiperazin-1-yl)methanone?
The IUPAC name of [2-(ethylamino)-4-pyridinyl]-(3,3,4-trimethylpiperazin-1-yl)methanone (CID 63614802) is [2-(ethylamino)-4-pyridinyl]-(3,3,4-trimethylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(ethylamino)-4-pyridinyl]-(3,3,4-trimethylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(ethylamino)-4-pyridinyl]-(3,3,4-trimethylpiperazin-1-yl)methanone is CCNc1cc(C(=O)N2CCN(C)C(C)(C)C2)ccn1.
What is the InChIKey of [2-(ethylamino)-4-pyridinyl]-(3,3,4-trimethylpiperazin-1-yl)methanone?
The InChIKey is ACTQNBWYYROYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-5-16-13-10-12(6-7-17-13)14(20)19-9-8-18(4)15(2,3)11-19/h6-7,10H,5,8-9,11H2,1-4H3,(H,16,17).
What are the key properties of [2-(ethylamino)-4-pyridinyl]-(3,3,4-trimethylpiperazin-1-yl)methanone?
[2-(ethylamino)-4-pyridinyl]-(3,3,4-trimethylpiperazin-1-yl)methanone has a molecular weight of 276.38 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-4-pyridinyl]-(3,3,4-trimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 63614802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).