(2-amino-5-bromo-3-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone

C14H21BrN4O — CID 62776114

IUPAC(2-amino-5-bromo-3-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)CN1CCN(C(=O)c2cc(Br)cnc2N)CC1
InChIInChI=1S/C14H21BrN4O/c1-10(2)9-18-3-5-19(6-4-18)14(20)12-7-11(15)8-17-13(12)16/h7-8,10H,3-6,9H2,1-2H3,(H2,16,17)
InChIKeyMMKVQBJEPQFEEY-UHFFFAOYSA-N
MW341.25 g/mol
LogP1.84
Rot. Bonds3

About (2-amino-5-bromo-3-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone

(2-amino-5-bromo-3-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone (PubChem CID 62776114) has the molecular formula C14H21BrN4O and a molecular weight of 341.25 g/mol. Its IUPAC name is (2-amino-5-bromo-3-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-5-bromo-3-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
PubChem CID62776114
Molecular FormulaC14H21BrN4O
Molecular Weight341.25 g/mol
Exact Mass340.09
IUPAC Name(2-amino-5-bromo-3-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)CN1CCN(C(=O)c2cc(Br)cnc2N)CC1
InChIInChI=1S/C14H21BrN4O/c1-10(2)9-18-3-5-19(6-4-18)14(20)12-7-11(15)8-17-13(12)16/h7-8,10H,3-6,9H2,1-2H3,(H2,16,17)
InChIKeyMMKVQBJEPQFEEY-UHFFFAOYSA-N
XLogP1.84
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-amino-5-bromo-3-pyridinyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 62185190
(2,5-dibromophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 114371674
(2-amino-5-bromo-3-pyridinyl)-(4-ethylpiperidin-1-yl)methanone
CID 62185337
(5-bromo-2-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 62953905
(2-amino-5-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 107074618
(3-amino-2,5-difluorophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 107120733
(2-amino-5-bromo-3-pyridinyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 63605142
(5-bromo-2-hydrazinyl-3-pyridinyl)-(4-ethylpiperazin-1-yl)methanone
CID 62238043
(2-amino-5-bromo-3-pyridinyl)-(1,3-dihydroisoindol-2-yl)methanone
CID 55049058
(2-bromo-4-fluorophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 60698441
(2-amino-5-bromo-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 64574911
(2-amino-5-bromo-3-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 55141157

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-bromo-3-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The IUPAC name of (2-amino-5-bromo-3-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone (CID 62776114) is (2-amino-5-bromo-3-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-amino-5-bromo-3-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-amino-5-bromo-3-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone is CC(C)CN1CCN(C(=O)c2cc(Br)cnc2N)CC1.
What is the InChIKey of (2-amino-5-bromo-3-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The InChIKey is MMKVQBJEPQFEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN4O/c1-10(2)9-18-3-5-19(6-4-18)14(20)12-7-11(15)8-17-13(12)16/h7-8,10H,3-6,9H2,1-2H3,(H2,16,17).
What are the key properties of (2-amino-5-bromo-3-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
(2-amino-5-bromo-3-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone has a molecular weight of 341.25 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-bromo-3-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 62776114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).