(2-amino-5-bromo-3-pyridinyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone

C13H19BrN4O — CID 63605142

IUPAC(2-amino-5-bromo-3-pyridinyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
SMILESCCC1CN(C(=O)c2cc(Br)cnc2N)CCN1C
InChIInChI=1S/C13H19BrN4O/c1-3-10-8-18(5-4-17(10)2)13(19)11-6-9(14)7-16-12(11)15/h6-7,10H,3-5,8H2,1-2H3,(H2,15,16)
InChIKeyNJUSWKNGRMUVEC-UHFFFAOYSA-N
MW327.23 g/mol
LogP1.59
Rot. Bonds2

About (2-amino-5-bromo-3-pyridinyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone

(2-amino-5-bromo-3-pyridinyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone (PubChem CID 63605142) has the molecular formula C13H19BrN4O and a molecular weight of 327.23 g/mol. Its IUPAC name is (2-amino-5-bromo-3-pyridinyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-bromo-3-pyridinyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
PubChem CID63605142
Molecular FormulaC13H19BrN4O
Molecular Weight327.23 g/mol
Exact Mass326.07
IUPAC Name(2-amino-5-bromo-3-pyridinyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
SMILESCCC1CN(C(=O)c2cc(Br)cnc2N)CCN1C
InChIInChI=1S/C13H19BrN4O/c1-3-10-8-18(5-4-17(10)2)13(19)11-6-9(14)7-16-12(11)15/h6-7,10H,3-5,8H2,1-2H3,(H2,15,16)
InChIKeyNJUSWKNGRMUVEC-UHFFFAOYSA-N
XLogP1.59
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.23
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-amino-5-bromo-3-pyridinyl)-(4-ethylpiperidin-1-yl)methanone
CID 62185337
(2,4-dibromophenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 107952420
(2-amino-5-bromo-3-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 55141157
5-bromo-2-(3-ethyl-4-methylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 55247393
(2-amino-5-bromo-3-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 62776114
(2-amino-5-bromo-3-pyridinyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 62185190
(2-bromofuran-3-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 106853961
(2-amino-3-methylphenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 63602925
2-amino-5-bromo-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide
CID 114138586
(4-aminophenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 63603575
(4-bromo-1-propylpyrrol-2-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 63620195
(4-amino-3-methoxyphenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 104782923

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-bromo-3-pyridinyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone?
The IUPAC name of (2-amino-5-bromo-3-pyridinyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone (CID 63605142) is (2-amino-5-bromo-3-pyridinyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-amino-5-bromo-3-pyridinyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (2-amino-5-bromo-3-pyridinyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone is CCC1CN(C(=O)c2cc(Br)cnc2N)CCN1C.
What is the InChIKey of (2-amino-5-bromo-3-pyridinyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone?
The InChIKey is NJUSWKNGRMUVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN4O/c1-3-10-8-18(5-4-17(10)2)13(19)11-6-9(14)7-16-12(11)15/h6-7,10H,3-5,8H2,1-2H3,(H2,15,16).
What are the key properties of (2-amino-5-bromo-3-pyridinyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone?
(2-amino-5-bromo-3-pyridinyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone has a molecular weight of 327.23 g/mol, XLogP of 1.59, 2 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)-(3-ethyl-4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 63605142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).