N-cyclopentyl-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide

C18H22N4O2 — CID 109112291

IUPACN-cyclopentyl-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
SMILESCOc1ccc(CNc2ccc(C(=O)NC3CCCC3)nn2)cc1
InChIInChI=1S/C18H22N4O2/c1-24-15-8-6-13(7-9-15)12-19-17-11-10-16(21-22-17)18(23)20-14-4-2-3-5-14/h6-11,14H,2-5,12H2,1H3,(H,19,22)(H,20,23)
InChIKeyXMOYKWZNPCXCCM-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.77
Rot. Bonds6

About N-cyclopentyl-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide

N-cyclopentyl-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide (PubChem CID 109112291) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-cyclopentyl-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
PubChem CID109112291
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-cyclopentyl-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
SMILESCOc1ccc(CNc2ccc(C(=O)NC3CCCC3)nn2)cc1
InChIInChI=1S/C18H22N4O2/c1-24-15-8-6-13(7-9-15)12-19-17-11-10-16(21-22-17)18(23)20-14-4-2-3-5-14/h6-11,14H,2-5,12H2,1H3,(H,19,22)(H,20,23)
InChIKeyXMOYKWZNPCXCCM-UHFFFAOYSA-N
XLogP2.77
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(4-methoxyphenyl)methylamino]-N-propan-2-ylpyridazine-3-carboxamide
CID 109109629
N-cyclohexyl-6-(2-methoxyethylamino)pyridazine-3-carboxamide
CID 109112980
N-cyclopropyl-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109179866
N-cyclopentyl-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109112282
N-cycloheptyl-6-(ethylamino)pyridazine-3-carboxamide
CID 55042572
6-(cyclopentylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109112117
N-cyclohexyl-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109204760
N-[2-(dimethylamino)ethyl]-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109115345
N-(4-acetamidophenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120236
N-cyclohexyl-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109113007
6-(1,3-benzodioxol-5-ylmethylamino)-N-cyclohexylpyridazine-3-carboxamide
CID 109113004
[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112649

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide?
The IUPAC name of N-cyclopentyl-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide (CID 109112291) is N-cyclopentyl-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide is COc1ccc(CNc2ccc(C(=O)NC3CCCC3)nn2)cc1.
What is the InChIKey of N-cyclopentyl-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide?
The InChIKey is XMOYKWZNPCXCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-24-15-8-6-13(7-9-15)12-19-17-11-10-16(21-22-17)18(23)20-14-4-2-3-5-14/h6-11,14H,2-5,12H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-cyclopentyl-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide?
N-cyclopentyl-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 109112291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).