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

C15H24N4O — CID 63605493

IUPAC[2-(ethylamino)-3-pyridinyl]-(3-ethyl-4-methylpiperazin-1-yl)methanone
SMILESCCNc1ncccc1C(=O)N1CCN(C)C(CC)C1
InChIInChI=1S/C15H24N4O/c1-4-12-11-19(10-9-18(12)3)15(20)13-7-6-8-17-14(13)16-5-2/h6-8,12H,4-5,9-11H2,1-3H3,(H,16,17)
InChIKeySBZXQSDNLXLBQK-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.68
Rot. Bonds4

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

[2-(ethylamino)-3-pyridinyl]-(3-ethyl-4-methylpiperazin-1-yl)methanone (PubChem CID 63605493) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is [2-(ethylamino)-3-pyridinyl]-(3-ethyl-4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(ethylamino)-3-pyridinyl]-(3-ethyl-4-methylpiperazin-1-yl)methanone
PubChem CID63605493
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name[2-(ethylamino)-3-pyridinyl]-(3-ethyl-4-methylpiperazin-1-yl)methanone
SMILESCCNc1ncccc1C(=O)N1CCN(C)C(CC)C1
InChIInChI=1S/C15H24N4O/c1-4-12-11-19(10-9-18(12)3)15(20)13-7-6-8-17-14(13)16-5-2/h6-8,12H,4-5,9-11H2,1-3H3,(H,16,17)
InChIKeySBZXQSDNLXLBQK-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

[2-(ethylamino)-3-pyridinyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112628604
[2-(ethylamino)-3-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 62187064
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(ethylamino)pyridine-3-carboxamide
CID 63897320
[2-(ethylamino)-3-pyridinyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66370320
(4-tert-butylpiperidin-1-yl)-[2-(ethylamino)-3-pyridinyl]methanone
CID 62181639
[2-(ethylamino)-3-pyridinyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 63162177
(2-amino-3-methylphenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 63602925
2-[(1,4-dimethylpiperazin-2-yl)methylamino]pyridine-3-carboxamide
CID 63898975
(3-methylpiperidin-1-yl)-[2-(propylamino)-3-pyridinyl]methanone
CID 62172051
2-(ethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 62181266
(2-ethylmorpholin-4-yl)-[2-(propylamino)-3-pyridinyl]methanone
CID 62170255
(3-ethyl-4-methylpiperazin-1-yl)-[5-(methylamino)-2-pyridinyl]methanone
CID 104641352

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-3-pyridinyl]-(3-ethyl-4-methylpiperazin-1-yl)methanone?
The IUPAC name of [2-(ethylamino)-3-pyridinyl]-(3-ethyl-4-methylpiperazin-1-yl)methanone (CID 63605493) is [2-(ethylamino)-3-pyridinyl]-(3-ethyl-4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(ethylamino)-3-pyridinyl]-(3-ethyl-4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(ethylamino)-3-pyridinyl]-(3-ethyl-4-methylpiperazin-1-yl)methanone is CCNc1ncccc1C(=O)N1CCN(C)C(CC)C1.
What is the InChIKey of [2-(ethylamino)-3-pyridinyl]-(3-ethyl-4-methylpiperazin-1-yl)methanone?
The InChIKey is SBZXQSDNLXLBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-4-12-11-19(10-9-18(12)3)15(20)13-7-6-8-17-14(13)16-5-2/h6-8,12H,4-5,9-11H2,1-3H3,(H,16,17).
What are the key properties of [2-(ethylamino)-3-pyridinyl]-(3-ethyl-4-methylpiperazin-1-yl)methanone?
[2-(ethylamino)-3-pyridinyl]-(3-ethyl-4-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 [2-(ethylamino)-3-pyridinyl]-(3-ethyl-4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 63605493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).