[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone

C17H20BrN5O — CID 86981441

IUPAC[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone
SMILESCN(C)c1ccc(C(=O)N2CCN(c3ccc(Br)cn3)CC2)cn1
InChIInChI=1S/C17H20BrN5O/c1-21(2)15-5-3-13(11-19-15)17(24)23-9-7-22(8-10-23)16-6-4-14(18)12-20-16/h3-6,11-12H,7-10H2,1-2H3
InChIKeyNGAXECIRVICCLM-UHFFFAOYSA-N
MW390.29 g/mol
LogP2.27
Rot. Bonds3

About [4-(5-bromo-2-pyridinyl)piperazin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone

[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone (PubChem CID 86981441) has the molecular formula C17H20BrN5O and a molecular weight of 390.29 g/mol. Its IUPAC name is [4-(5-bromo-2-pyridinyl)piperazin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone
PubChem CID86981441
Molecular FormulaC17H20BrN5O
Molecular Weight390.29 g/mol
Exact Mass389.09
IUPAC Name[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone
SMILESCN(C)c1ccc(C(=O)N2CCN(c3ccc(Br)cn3)CC2)cn1
InChIInChI=1S/C17H20BrN5O/c1-21(2)15-5-3-13(11-19-15)17(24)23-9-7-22(8-10-23)16-6-4-14(18)12-20-16/h3-6,11-12H,7-10H2,1-2H3
InChIKeyNGAXECIRVICCLM-UHFFFAOYSA-N
XLogP2.27
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.29
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(5-bromo-2-pyridinyl)piperazin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone with MolForge

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Related Compounds

[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone
CID 56820288
6-[4-(4-bromobenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83971605
[6-(dimethylamino)-3-pyridinyl]-(4-pyrazin-2-yl-1,4-diazepan-1-yl)methanone
CID 138378091
[6-(dimethylamino)-3-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78859312
[3,5-bis(trifluoromethyl)phenyl]-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone
CID 55656561
[6-(diethylamino)-3-pyridinyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 48652759
[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone
CID 79410918
6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83971599
1-[4-[4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]phenyl]ethanone
CID 122334176
1-[4-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 109155101
6-[4-(4-tert-butylbenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83971611
[6-(dimethylamino)-3-pyridinyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261774

Frequently Asked Questions

What is the IUPAC name of [4-(5-bromo-2-pyridinyl)piperazin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone?
The IUPAC name of [4-(5-bromo-2-pyridinyl)piperazin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone (CID 86981441) is [4-(5-bromo-2-pyridinyl)piperazin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone.
What is the SMILES notation for [4-(5-bromo-2-pyridinyl)piperazin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone?
The canonical SMILES for [4-(5-bromo-2-pyridinyl)piperazin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone is CN(C)c1ccc(C(=O)N2CCN(c3ccc(Br)cn3)CC2)cn1.
What is the InChIKey of [4-(5-bromo-2-pyridinyl)piperazin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone?
The InChIKey is NGAXECIRVICCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN5O/c1-21(2)15-5-3-13(11-19-15)17(24)23-9-7-22(8-10-23)16-6-4-14(18)12-20-16/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of [4-(5-bromo-2-pyridinyl)piperazin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone?
[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone has a molecular weight of 390.29 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-bromo-2-pyridinyl)piperazin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 86981441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).