6-(azepan-1-yl)-N-(4-bromo-2-methylphenyl)pyridazine-3-carboxamide

C18H21BrN4O — CID 109126420

IUPAC6-(azepan-1-yl)-N-(4-bromo-2-methylphenyl)pyridazine-3-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)c1ccc(N2CCCCCC2)nn1
InChIInChI=1S/C18H21BrN4O/c1-13-12-14(19)6-7-15(13)20-18(24)16-8-9-17(22-21-16)23-10-4-2-3-5-11-23/h6-9,12H,2-5,10-11H2,1H3,(H,20,24)
InChIKeyGEPGEPANHZKSOD-UHFFFAOYSA-N
MW389.30 g/mol
LogP4.18
Rot. Bonds3

About 6-(azepan-1-yl)-N-(4-bromo-2-methylphenyl)pyridazine-3-carboxamide

6-(azepan-1-yl)-N-(4-bromo-2-methylphenyl)pyridazine-3-carboxamide (PubChem CID 109126420) has the molecular formula C18H21BrN4O and a molecular weight of 389.30 g/mol. Its IUPAC name is 6-(azepan-1-yl)-N-(4-bromo-2-methylphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(azepan-1-yl)-N-(4-bromo-2-methylphenyl)pyridazine-3-carboxamide
PubChem CID109126420
Molecular FormulaC18H21BrN4O
Molecular Weight389.30 g/mol
Exact Mass388.09
IUPAC Name6-(azepan-1-yl)-N-(4-bromo-2-methylphenyl)pyridazine-3-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)c1ccc(N2CCCCCC2)nn1
InChIInChI=1S/C18H21BrN4O/c1-13-12-14(19)6-7-15(13)20-18(24)16-8-9-17(22-21-16)23-10-4-2-3-5-11-23/h6-9,12H,2-5,10-11H2,1H3,(H,20,24)
InChIKeyGEPGEPANHZKSOD-UHFFFAOYSA-N
XLogP4.18
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.30
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(azepan-1-yl)-N-(4-chloro-2-methylphenyl)pyridazine-3-carboxamide
CID 109126380
N-(2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111795
N-(5-chloro-2-methylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112555
N-(4-bromo-2-methylphenyl)-6-pyrazol-1-ylpyridazine-3-carboxamide
CID 56765908
N-(5-amino-2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 120568178
6-(azepan-1-yl)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide
CID 109126362
6-(azepan-1-yl)-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109126354
N-(3-fluoro-4-methylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 71778546
N-(2-tert-butylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111813
N-(2-chlorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111816
N-(2,4-dimethylphenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazine-3-carboxamide
CID 109123515
N-(4-bromo-2-methylphenyl)-6-(ethylamino)pyridazine-3-carboxamide
CID 62186794

Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)-N-(4-bromo-2-methylphenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(azepan-1-yl)-N-(4-bromo-2-methylphenyl)pyridazine-3-carboxamide (CID 109126420) is 6-(azepan-1-yl)-N-(4-bromo-2-methylphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(azepan-1-yl)-N-(4-bromo-2-methylphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(azepan-1-yl)-N-(4-bromo-2-methylphenyl)pyridazine-3-carboxamide is Cc1cc(Br)ccc1NC(=O)c1ccc(N2CCCCCC2)nn1.
What is the InChIKey of 6-(azepan-1-yl)-N-(4-bromo-2-methylphenyl)pyridazine-3-carboxamide?
The InChIKey is GEPGEPANHZKSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN4O/c1-13-12-14(19)6-7-15(13)20-18(24)16-8-9-17(22-21-16)23-10-4-2-3-5-11-23/h6-9,12H,2-5,10-11H2,1H3,(H,20,24).
What are the key properties of 6-(azepan-1-yl)-N-(4-bromo-2-methylphenyl)pyridazine-3-carboxamide?
6-(azepan-1-yl)-N-(4-bromo-2-methylphenyl)pyridazine-3-carboxamide has a molecular weight of 389.30 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepan-1-yl)-N-(4-bromo-2-methylphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109126420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).