azepan-1-yl-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]methanone

C18H21ClN4O — CID 109119827

IUPACazepan-1-yl-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]methanone
SMILESO=C(c1ccc(NCc2ccc(Cl)cc2)nn1)N1CCCCCC1
InChIInChI=1S/C18H21ClN4O/c19-15-7-5-14(6-8-15)13-20-17-10-9-16(21-22-17)18(24)23-11-3-1-2-4-12-23/h5-10H,1-4,11-13H2,(H,20,22)
InChIKeyPRFVGGAUKAXHIW-UHFFFAOYSA-N
MW344.85 g/mol
LogP3.76
Rot. Bonds4

About azepan-1-yl-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]methanone

azepan-1-yl-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]methanone (PubChem CID 109119827) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is azepan-1-yl-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]methanone
PubChem CID109119827
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC Nameazepan-1-yl-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]methanone
SMILESO=C(c1ccc(NCc2ccc(Cl)cc2)nn1)N1CCCCCC1
InChIInChI=1S/C18H21ClN4O/c19-15-7-5-14(6-8-15)13-20-17-10-9-16(21-22-17)18(24)23-11-3-1-2-4-12-23/h5-10H,1-4,11-13H2,(H,20,22)
InChIKeyPRFVGGAUKAXHIW-UHFFFAOYSA-N
XLogP3.76
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(benzylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111903
[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112649
6-[(4-chlorophenyl)methylamino]pyridazine-3-carboxylic acid
CID 60791679
azepan-1-yl-[6-[(4-chlorophenyl)methylamino]pyrimidin-4-yl]methanone
CID 109348696
piperidin-1-yl-[6-(propylamino)pyridazin-3-yl]methanone
CID 55042849
[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112658
[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111917
(6-hydrazinylpyridazin-3-yl)-piperidin-1-ylmethanone
CID 62243082
[6-(4-chloro-2-methylanilino)pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112734
[6-(methylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 62172845
N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113041596
[6-(3-methylbutylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111959

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]methanone?
The IUPAC name of azepan-1-yl-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]methanone (CID 109119827) is azepan-1-yl-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]methanone.
What is the SMILES notation for azepan-1-yl-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]methanone?
The canonical SMILES for azepan-1-yl-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]methanone is O=C(c1ccc(NCc2ccc(Cl)cc2)nn1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]methanone?
The InChIKey is PRFVGGAUKAXHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O/c19-15-7-5-14(6-8-15)13-20-17-10-9-16(21-22-17)18(24)23-11-3-1-2-4-12-23/h5-10H,1-4,11-13H2,(H,20,22).
What are the key properties of azepan-1-yl-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]methanone?
azepan-1-yl-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]methanone has a molecular weight of 344.85 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]methanone is sourced from PubChem (CID 109119827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).