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

C15H23BrN4O — CID 62168742

IUPAC[5-bromo-2-(ethylamino)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCCNc1ncc(Br)cc1C(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C15H23BrN4O/c1-4-17-14-13(9-12(16)10-18-14)15(21)20-7-5-19(6-8-20)11(2)3/h9-11H,4-8H2,1-3H3,(H,17,18)
InChIKeyYGJGUZSYMSQZNA-UHFFFAOYSA-N
MW355.28 g/mol
LogP2.44
Rot. Bonds4

About [5-bromo-2-(ethylamino)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone

[5-bromo-2-(ethylamino)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 62168742) has the molecular formula C15H23BrN4O and a molecular weight of 355.28 g/mol. Its IUPAC name is [5-bromo-2-(ethylamino)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-bromo-2-(ethylamino)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID62168742
Molecular FormulaC15H23BrN4O
Molecular Weight355.28 g/mol
Exact Mass354.11
IUPAC Name[5-bromo-2-(ethylamino)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCCNc1ncc(Br)cc1C(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C15H23BrN4O/c1-4-17-14-13(9-12(16)10-18-14)15(21)20-7-5-19(6-8-20)11(2)3/h9-11H,4-8H2,1-3H3,(H,17,18)
InChIKeyYGJGUZSYMSQZNA-UHFFFAOYSA-N
XLogP2.44
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-bromo-2-(ethylamino)-3-pyridinyl]-(4-ethylpiperidin-1-yl)methanone
CID 62176736
[5-bromo-2-(ethylamino)-3-pyridinyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114681677
[2-(ethylamino)-3-fluoro-4-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 105384991
(5-bromo-2-hydrazinyl-3-pyridinyl)-(4-ethylpiperazin-1-yl)methanone
CID 62238043
[5-bromo-2-(ethylamino)-3-pyridinyl]-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 81464108
[5-bromo-2-(propylamino)-3-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 62186045
methyl 5-bromo-2-(ethylamino)pyridine-3-carboxylate
CID 130830671
[3-(ethylamino)-4-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 105068725
[5-bromo-2-(propylamino)-3-pyridinyl]-(1,4-oxazepan-4-yl)methanone
CID 62967844
[5-bromo-2-(ethylamino)-3-pyridinyl]-(2-ethylazepan-1-yl)methanone
CID 104691769
[5-bromo-2-(ethylamino)-3-pyridinyl]-(3-ethylmorpholin-4-yl)methanone
CID 62169252
[5-bromo-2-(propylamino)-3-pyridinyl]-(4-methylazepan-1-yl)methanone
CID 63627596

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(ethylamino)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [5-bromo-2-(ethylamino)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 62168742) is [5-bromo-2-(ethylamino)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-bromo-2-(ethylamino)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [5-bromo-2-(ethylamino)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone is CCNc1ncc(Br)cc1C(=O)N1CCN(C(C)C)CC1.
What is the InChIKey of [5-bromo-2-(ethylamino)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is YGJGUZSYMSQZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN4O/c1-4-17-14-13(9-12(16)10-18-14)15(21)20-7-5-19(6-8-20)11(2)3/h9-11H,4-8H2,1-3H3,(H,17,18).
What are the key properties of [5-bromo-2-(ethylamino)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[5-bromo-2-(ethylamino)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 355.28 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(ethylamino)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 62168742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).