6-(3-methoxypropylamino)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide

C15H19N5O2 — CID 109114110

IUPAC6-(3-methoxypropylamino)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
SMILESCOCCCNc1ccc(C(=O)NCc2ccncc2)nn1
InChIInChI=1S/C15H19N5O2/c1-22-10-2-7-17-14-4-3-13(19-20-14)15(21)18-11-12-5-8-16-9-6-12/h3-6,8-9H,2,7,10-11H2,1H3,(H,17,20)(H,18,21)
InChIKeyUUZWDVBOOVLLOS-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.25
Rot. Bonds8

About 6-(3-methoxypropylamino)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide

6-(3-methoxypropylamino)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide (PubChem CID 109114110) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 6-(3-methoxypropylamino)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3-methoxypropylamino)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
PubChem CID109114110
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name6-(3-methoxypropylamino)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
SMILESCOCCCNc1ccc(C(=O)NCc2ccncc2)nn1
InChIInChI=1S/C15H19N5O2/c1-22-10-2-7-17-14-4-3-13(19-20-14)15(21)18-11-12-5-8-16-9-6-12/h3-6,8-9H,2,7,10-11H2,1H3,(H,17,20)(H,18,21)
InChIKeyUUZWDVBOOVLLOS-UHFFFAOYSA-N
XLogP1.25
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methoxyphenyl)methyl]-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114105
N-[(4-chlorophenyl)methyl]-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114103
N-butyl-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide
CID 109110806
6-[(4-fluorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109119412
6-[2-(2-fluorophenyl)ethylamino]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109121372
N-(3-methylbutyl)-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide
CID 109121261
6-[2-(4-fluorophenyl)ethylamino]-N-(3-methoxypropyl)pyridazine-3-carboxamide
CID 109114295
6-[(3-methylphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109118240
N-(2-methoxyethyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide
CID 109113959
N-(4-ethylphenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114172
N-(4-tert-butylphenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114181
N-(2-chlorophenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114184

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxypropylamino)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(3-methoxypropylamino)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide (CID 109114110) is 6-(3-methoxypropylamino)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(3-methoxypropylamino)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(3-methoxypropylamino)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide is COCCCNc1ccc(C(=O)NCc2ccncc2)nn1.
What is the InChIKey of 6-(3-methoxypropylamino)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide?
The InChIKey is UUZWDVBOOVLLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-22-10-2-7-17-14-4-3-13(19-20-14)15(21)18-11-12-5-8-16-9-6-12/h3-6,8-9H,2,7,10-11H2,1H3,(H,17,20)(H,18,21).
What are the key properties of 6-(3-methoxypropylamino)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide?
6-(3-methoxypropylamino)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 1.25, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxypropylamino)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109114110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).