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

C15H24N4O — CID 62168232

IUPAC[4-(ethylamino)-2-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCCNc1ccnc(C(=O)N2CCN(C(C)C)CC2)c1
InChIInChI=1S/C15H24N4O/c1-4-16-13-5-6-17-14(11-13)15(20)19-9-7-18(8-10-19)12(2)3/h5-6,11-12H,4,7-10H2,1-3H3,(H,16,17)
InChIKeyAEMHRROKPUNPIC-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.68
Rot. Bonds4

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

[4-(ethylamino)-2-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 62168232) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is [4-(ethylamino)-2-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(ethylamino)-2-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID62168232
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name[4-(ethylamino)-2-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCCNc1ccnc(C(=O)N2CCN(C(C)C)CC2)c1
InChIInChI=1S/C15H24N4O/c1-4-16-13-5-6-17-14(11-13)15(20)19-9-7-18(8-10-19)12(2)3/h5-6,11-12H,4,7-10H2,1-3H3,(H,16,17)
InChIKeyAEMHRROKPUNPIC-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

[4-(dimethylamino)piperidin-1-yl]-[4-(ethylamino)-2-pyridinyl]methanone
CID 62169404
[4-(2-methylpropylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109203044
[4-(ethylamino)-2-pyridinyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103358193
[4-(ethylamino)-2-pyridinyl]-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 63604449
[4-(3-methylbutylamino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208113
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[4-(ethylamino)-2-pyridinyl]methanone
CID 104960428
[4-(2-methylpropylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109203088
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[4-(ethylamino)-2-pyridinyl]methanone
CID 64576261
[4-(3-methylbutylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204430
[2-(ethylamino)-3-fluoro-4-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 105384991
azepan-1-yl-[4-(tert-butylamino)-2-pyridinyl]methanone
CID 109216956
ethyl 4-[4-(butan-2-ylamino)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109203480

Frequently Asked Questions

What is the IUPAC name of [4-(ethylamino)-2-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [4-(ethylamino)-2-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 62168232) is [4-(ethylamino)-2-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(ethylamino)-2-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(ethylamino)-2-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone is CCNc1ccnc(C(=O)N2CCN(C(C)C)CC2)c1.
What is the InChIKey of [4-(ethylamino)-2-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is AEMHRROKPUNPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-4-16-13-5-6-17-14(11-13)15(20)19-9-7-18(8-10-19)12(2)3/h5-6,11-12H,4,7-10H2,1-3H3,(H,16,17).
What are the key properties of [4-(ethylamino)-2-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[4-(ethylamino)-2-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 [4-(ethylamino)-2-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 62168232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).