[3-(ethylamino)-4-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone

C15H24N4O — CID 105068725

IUPAC[3-(ethylamino)-4-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCCNc1cnccc1C(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C15H24N4O/c1-4-17-14-11-16-6-5-13(14)15(20)19-9-7-18(8-10-19)12(2)3/h5-6,11-12,17H,4,7-10H2,1-3H3
InChIKeySKHGAZQFEGGOBQ-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.68
Rot. Bonds4

About [3-(ethylamino)-4-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone

[3-(ethylamino)-4-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 105068725) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is [3-(ethylamino)-4-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(ethylamino)-4-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID105068725
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name[3-(ethylamino)-4-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCCNc1cnccc1C(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C15H24N4O/c1-4-17-14-11-16-6-5-13(14)15(20)19-9-7-18(8-10-19)12(2)3/h5-6,11-12,17H,4,7-10H2,1-3H3
InChIKeySKHGAZQFEGGOBQ-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

(3-hydrazinyl-4-pyridinyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 105072063
[3-(ethylamino)-4-pyridinyl]-(4-methoxypiperidin-1-yl)methanone
CID 105068580
(3,3-dimethylpyrrolidin-1-yl)-[3-(ethylamino)-4-pyridinyl]methanone
CID 105070704
[2-(ethylamino)-3-fluoro-4-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 105384991
6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[3-(ethylamino)-4-pyridinyl]methanone
CID 105069994
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[3-(ethylamino)-4-pyridinyl]methanone
CID 105071465
(4-ethylpiperazin-1-yl)-[3-(propylamino)-4-pyridinyl]methanone
CID 105068102
[4-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 81236663
[3-(ethylamino)-4-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 105069932
[3-(ethylamino)-4-pyridinyl]-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone
CID 105071079
(3-amino-4-pyridinyl)-(4-butan-2-ylpiperazin-1-yl)methanone
CID 105069851
(4-butan-2-ylpiperazin-1-yl)-(3-fluoro-4-pyridinyl)methanone
CID 105066571

Frequently Asked Questions

What is the IUPAC name of [3-(ethylamino)-4-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [3-(ethylamino)-4-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 105068725) is [3-(ethylamino)-4-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(ethylamino)-4-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(ethylamino)-4-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone is CCNc1cnccc1C(=O)N1CCN(C(C)C)CC1.
What is the InChIKey of [3-(ethylamino)-4-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is SKHGAZQFEGGOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-4-17-14-11-16-6-5-13(14)15(20)19-9-7-18(8-10-19)12(2)3/h5-6,11-12,17H,4,7-10H2,1-3H3.
What are the key properties of [3-(ethylamino)-4-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[3-(ethylamino)-4-pyridinyl]-(4-propan-2-ylpiperazin-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 [3-(ethylamino)-4-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 105068725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).