[6-(2-bromoanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone

C17H19BrN4O — CID 109126106

IUPAC[6-(2-bromoanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2ccc(Nc3ccccc3Br)nn2)C1
InChIInChI=1S/C17H19BrN4O/c1-12-5-4-10-22(11-12)17(23)15-8-9-16(21-20-15)19-14-7-3-2-6-13(14)18/h2-3,6-9,12H,4-5,10-11H2,1H3,(H,19,21)
InChIKeySAAGRDCLUWCKRU-UHFFFAOYSA-N
MW375.27 g/mol
LogP3.85
Rot. Bonds3

About [6-(2-bromoanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone

[6-(2-bromoanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 109126106) has the molecular formula C17H19BrN4O and a molecular weight of 375.27 g/mol. Its IUPAC name is [6-(2-bromoanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-(2-bromoanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID109126106
Molecular FormulaC17H19BrN4O
Molecular Weight375.27 g/mol
Exact Mass374.07
IUPAC Name[6-(2-bromoanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2ccc(Nc3ccccc3Br)nn2)C1
InChIInChI=1S/C17H19BrN4O/c1-12-5-4-10-22(11-12)17(23)15-8-9-16(21-20-15)19-14-7-3-2-6-13(14)18/h2-3,6-9,12H,4-5,10-11H2,1H3,(H,19,21)
InChIKeySAAGRDCLUWCKRU-UHFFFAOYSA-N
XLogP3.85
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(2-fluoroanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 109126061
methyl 2-[[6-(3-methylpiperidine-1-carbonyl)pyridazin-3-yl]amino]benzoate
CID 109126092
[6-(2,6-difluoroanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 109126136
[6-(2,5-dichloroanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 109126123
[6-(4-chloro-2-methylanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 109126067
[6-(ethylamino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 62172058
[6-(4-ethylanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 109126053
(3-methylpiperidin-1-yl)-[6-(2-methylpropylamino)pyridazin-3-yl]methanone
CID 109111042
(2-bromophenyl)-(3-methylpiperidin-1-yl)methanone
CID 2842644
[6-(4-ethoxyanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 109126078
(3-methylpiperidin-1-yl)-(6-phenylpyridazin-3-yl)methanone
CID 113200594
[6-(2-chloroanilino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111996

Frequently Asked Questions

What is the IUPAC name of [6-(2-bromoanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [6-(2-bromoanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone (CID 109126106) is [6-(2-bromoanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-(2-bromoanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [6-(2-bromoanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2ccc(Nc3ccccc3Br)nn2)C1.
What is the InChIKey of [6-(2-bromoanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is SAAGRDCLUWCKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4O/c1-12-5-4-10-22(11-12)17(23)15-8-9-16(21-20-15)19-14-7-3-2-6-13(14)18/h2-3,6-9,12H,4-5,10-11H2,1H3,(H,19,21).
What are the key properties of [6-(2-bromoanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone?
[6-(2-bromoanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 375.27 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-bromoanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109126106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).