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

C14H22N4O — CID 103738174

IUPAC(2,4-dimethylpiperazin-1-yl)-[2-(ethylamino)-4-pyridinyl]methanone
SMILESCCNc1cc(C(=O)N2CCN(C)CC2C)ccn1
InChIInChI=1S/C14H22N4O/c1-4-15-13-9-12(5-6-16-13)14(19)18-8-7-17(3)10-11(18)2/h5-6,9,11H,4,7-8,10H2,1-3H3,(H,15,16)
InChIKeyHRKRQUCZZXAPBC-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.29
Rot. Bonds3

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

(2,4-dimethylpiperazin-1-yl)-[2-(ethylamino)-4-pyridinyl]methanone (PubChem CID 103738174) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is (2,4-dimethylpiperazin-1-yl)-[2-(ethylamino)-4-pyridinyl]methanone.

Molecular Properties

Compound Name(2,4-dimethylpiperazin-1-yl)-[2-(ethylamino)-4-pyridinyl]methanone
PubChem CID103738174
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name(2,4-dimethylpiperazin-1-yl)-[2-(ethylamino)-4-pyridinyl]methanone
SMILESCCNc1cc(C(=O)N2CCN(C)CC2C)ccn1
InChIInChI=1S/C14H22N4O/c1-4-15-13-9-12(5-6-16-13)14(19)18-8-7-17(3)10-11(18)2/h5-6,9,11H,4,7-8,10H2,1-3H3,(H,15,16)
InChIKeyHRKRQUCZZXAPBC-UHFFFAOYSA-N
XLogP1.29
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(ethylamino)-4-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 62942527
N-[4-(4-ethyl-2-methylpiperazine-1-carbonyl)-2-pyridinyl]cyclopropanecarboxamide
CID 136542227
[2-(ethylamino)-4-pyridinyl]-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83173918
[2-(ethylamino)-4-pyridinyl]-thiomorpholin-4-ylmethanone
CID 55042424
[3-(diethylamino)pyrrolidin-1-yl]-[2-(ethylamino)-4-pyridinyl]methanone
CID 63174668
[(2R)-2,4-dimethylpiperazin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone
CID 97094220
(3,4-dihydroxyphenyl)-(2,4-dimethylpiperazin-1-yl)methanone
CID 103957022
[2-(ethylamino)-4-pyridinyl]-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 63614802
[2-(ethylamino)-4-pyridinyl]-[2-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 155953260
(3-aminophenyl)-(2,4-dimethylpiperazin-1-yl)methanone
CID 103814619
[2-(methylamino)-4-pyridinyl]-(2-methylpiperidin-1-yl)methanone
CID 62172868
(2,3-dimethylpiperidin-1-yl)-[2-(propylamino)-4-pyridinyl]methanone
CID 62181812

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylpiperazin-1-yl)-[2-(ethylamino)-4-pyridinyl]methanone?
The IUPAC name of (2,4-dimethylpiperazin-1-yl)-[2-(ethylamino)-4-pyridinyl]methanone (CID 103738174) is (2,4-dimethylpiperazin-1-yl)-[2-(ethylamino)-4-pyridinyl]methanone.
What is the SMILES notation for (2,4-dimethylpiperazin-1-yl)-[2-(ethylamino)-4-pyridinyl]methanone?
The canonical SMILES for (2,4-dimethylpiperazin-1-yl)-[2-(ethylamino)-4-pyridinyl]methanone is CCNc1cc(C(=O)N2CCN(C)CC2C)ccn1.
What is the InChIKey of (2,4-dimethylpiperazin-1-yl)-[2-(ethylamino)-4-pyridinyl]methanone?
The InChIKey is HRKRQUCZZXAPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-4-15-13-9-12(5-6-16-13)14(19)18-8-7-17(3)10-11(18)2/h5-6,9,11H,4,7-8,10H2,1-3H3,(H,15,16).
What are the key properties of (2,4-dimethylpiperazin-1-yl)-[2-(ethylamino)-4-pyridinyl]methanone?
(2,4-dimethylpiperazin-1-yl)-[2-(ethylamino)-4-pyridinyl]methanone has a molecular weight of 262.36 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylpiperazin-1-yl)-[2-(ethylamino)-4-pyridinyl]methanone is sourced from PubChem (CID 103738174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).