[5-(ethylamino)-2-pyridinyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone

C16H26N4O — CID 104641158

IUPAC[5-(ethylamino)-2-pyridinyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCCNc1ccc(C(=O)N2CCN(CC(C)C)CC2)nc1
InChIInChI=1S/C16H26N4O/c1-4-17-14-5-6-15(18-11-14)16(21)20-9-7-19(8-10-20)12-13(2)3/h5-6,11,13,17H,4,7-10,12H2,1-3H3
InChIKeyQGTCPSYFIQIVIY-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.93
Rot. Bonds5

About [5-(ethylamino)-2-pyridinyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone

[5-(ethylamino)-2-pyridinyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone (PubChem CID 104641158) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is [5-(ethylamino)-2-pyridinyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(ethylamino)-2-pyridinyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
PubChem CID104641158
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name[5-(ethylamino)-2-pyridinyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCCNc1ccc(C(=O)N2CCN(CC(C)C)CC2)nc1
InChIInChI=1S/C16H26N4O/c1-4-17-14-5-6-15(18-11-14)16(21)20-9-7-19(8-10-20)12-13(2)3/h5-6,11,13,17H,4,7-10,12H2,1-3H3
InChIKeyQGTCPSYFIQIVIY-UHFFFAOYSA-N
XLogP1.93
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

azocan-1-yl-[5-(ethylamino)-2-pyridinyl]methanone
CID 104639816
(5-bromo-2-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 62953905
[5-(2-methylpropylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109181202
[5-(3-methylbutylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182598
[5-(ethylamino)-2-pyridinyl]-(4-ethylazepan-1-yl)methanone
CID 104641489
(4-ethylpiperazin-1-yl)-[5-(4-fluoroanilino)-2-pyridinyl]methanone
CID 109186689
(4-ethylpiperazin-1-yl)-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]methanone
CID 109186613
3,4-dihydro-1H-isoquinolin-2-yl-[5-(ethylamino)-2-pyridinyl]methanone
CID 104639927
[5-(ethylamino)-2-pyridinyl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102964695
(4-ethylpiperazin-1-yl)-[5-(3-methoxypropylamino)-2-pyridinyl]methanone
CID 109184383
[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109186615
[5-(3,4-difluoroanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109186753

Frequently Asked Questions

What is the IUPAC name of [5-(ethylamino)-2-pyridinyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The IUPAC name of [5-(ethylamino)-2-pyridinyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone (CID 104641158) is [5-(ethylamino)-2-pyridinyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone.
What is the SMILES notation for [5-(ethylamino)-2-pyridinyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The canonical SMILES for [5-(ethylamino)-2-pyridinyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone is CCNc1ccc(C(=O)N2CCN(CC(C)C)CC2)nc1.
What is the InChIKey of [5-(ethylamino)-2-pyridinyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The InChIKey is QGTCPSYFIQIVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-4-17-14-5-6-15(18-11-14)16(21)20-9-7-19(8-10-20)12-13(2)3/h5-6,11,13,17H,4,7-10,12H2,1-3H3.
What are the key properties of [5-(ethylamino)-2-pyridinyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone?
[5-(ethylamino)-2-pyridinyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone has a molecular weight of 290.41 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(ethylamino)-2-pyridinyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 104641158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).