2-methoxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]pyridine-4-carboxamide

C17H19N7O2 — CID 122327307

IUPAC2-methoxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]pyridine-4-carboxamide
SMILESCOc1cc(C(=O)NCCNc2ccc(-n3ccc(C)n3)nn2)ccn1
InChIInChI=1S/C17H19N7O2/c1-12-6-10-24(23-12)15-4-3-14(21-22-15)18-8-9-20-17(25)13-5-7-19-16(11-13)26-2/h3-7,10-11H,8-9H2,1-2H3,(H,18,21)(H,20,25)
InChIKeyUMFCACZRBXJMPT-UHFFFAOYSA-N
MW353.39 g/mol
LogP1.22
Rot. Bonds7

About 2-methoxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]pyridine-4-carboxamide

2-methoxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]pyridine-4-carboxamide (PubChem CID 122327307) has the molecular formula C17H19N7O2 and a molecular weight of 353.39 g/mol. Its IUPAC name is 2-methoxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]pyridine-4-carboxamide
PubChem CID122327307
Molecular FormulaC17H19N7O2
Molecular Weight353.39 g/mol
Exact Mass353.16
IUPAC Name2-methoxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]pyridine-4-carboxamide
SMILESCOc1cc(C(=O)NCCNc2ccc(-n3ccc(C)n3)nn2)ccn1
InChIInChI=1S/C17H19N7O2/c1-12-6-10-24(23-12)15-4-3-14(21-22-15)18-8-9-20-17(25)13-5-7-19-16(11-13)26-2/h3-7,10-11H,8-9H2,1-2H3,(H,18,21)(H,20,25)
InChIKeyUMFCACZRBXJMPT-UHFFFAOYSA-N
XLogP1.22
TPSA106.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-acetyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide
CID 122327312
2-methoxy-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]pyridine-4-carboxamide
CID 122326966
N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]thiophene-3-carboxamide
CID 122327155
N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]indolizine-2-carboxamide
CID 122327290
2,2-dimethyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]propanamide
CID 70703293
6-cyclopentyloxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]pyridine-3-carboxamide
CID 122327303
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-methoxypyridine-4-carboxamide
CID 122293459
1-(4-methylphenyl)-3-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]urea
CID 16654396
N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-4-thiophen-2-ylbenzamide
CID 122327261
2-(2-methylphenoxy)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide
CID 122327185
4-(dimethylamino)-N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]benzamide
CID 122328343
3-(dimethylamino)-N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]benzamide
CID 122328344

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-methoxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]pyridine-4-carboxamide (CID 122327307) is 2-methoxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-methoxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-methoxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]pyridine-4-carboxamide is COc1cc(C(=O)NCCNc2ccc(-n3ccc(C)n3)nn2)ccn1.
What is the InChIKey of 2-methoxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]pyridine-4-carboxamide?
The InChIKey is UMFCACZRBXJMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O2/c1-12-6-10-24(23-12)15-4-3-14(21-22-15)18-8-9-20-17(25)13-5-7-19-16(11-13)26-2/h3-7,10-11H,8-9H2,1-2H3,(H,18,21)(H,20,25).
What are the key properties of 2-methoxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]pyridine-4-carboxamide?
2-methoxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]pyridine-4-carboxamide has a molecular weight of 353.39 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 122327307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).