N-methyl-4-[[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]methyl]benzamide

C17H18N6O — CID 133290911

IUPACN-methyl-4-[[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CNc2ccc(-n3ccc(C)n3)nn2)cc1
InChIInChI=1S/C17H18N6O/c1-12-9-10-23(22-12)16-8-7-15(20-21-16)19-11-13-3-5-14(6-4-13)17(24)18-2/h3-10H,11H2,1-2H3,(H,18,24)(H,19,20)
InChIKeyZVACXTSIBQQTPJ-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.94
Rot. Bonds5

About N-methyl-4-[[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]methyl]benzamide

N-methyl-4-[[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]methyl]benzamide (PubChem CID 133290911) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is N-methyl-4-[[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]methyl]benzamide
PubChem CID133290911
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC NameN-methyl-4-[[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CNc2ccc(-n3ccc(C)n3)nn2)cc1
InChIInChI=1S/C17H18N6O/c1-12-9-10-23(22-12)16-8-7-15(20-21-16)19-11-13-3-5-14(6-4-13)17(24)18-2/h3-10H,11H2,1-2H3,(H,18,24)(H,19,20)
InChIKeyZVACXTSIBQQTPJ-UHFFFAOYSA-N
XLogP1.94
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-acetyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide
CID 122327312
6-(3-methylpyrazol-1-yl)-N-[(4-pyridin-3-ylphenyl)methyl]pyridazin-3-amine
CID 133332696
N-methyl-4-[[(1-methylpyrazol-3-yl)amino]methyl]benzamide
CID 54888919
2,2-dimethyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]propanamide
CID 70703293
N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-5-nitrofuran-2-carboxamide
CID 122327152
N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-4-thiophen-2-ylbenzamide
CID 122327261
N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]thiophene-3-carboxamide
CID 122327155
4-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041076
N-(4-bromophenyl)-2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]acetamide
CID 133291305
N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3-phenylpropanamide
CID 122327087
6-(3-methylpyrazol-1-yl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]pyridazin-3-amine
CID 133379870
N-(cyclopropylmethyl)-2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]acetamide
CID 133441969

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]methyl]benzamide?
The IUPAC name of N-methyl-4-[[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]methyl]benzamide (CID 133290911) is N-methyl-4-[[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]methyl]benzamide.
What is the SMILES notation for N-methyl-4-[[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]methyl]benzamide?
The canonical SMILES for N-methyl-4-[[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]methyl]benzamide is CNC(=O)c1ccc(CNc2ccc(-n3ccc(C)n3)nn2)cc1.
What is the InChIKey of N-methyl-4-[[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]methyl]benzamide?
The InChIKey is ZVACXTSIBQQTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-12-9-10-23(22-12)16-8-7-15(20-21-16)19-11-13-3-5-14(6-4-13)17(24)18-2/h3-10H,11H2,1-2H3,(H,18,24)(H,19,20).
What are the key properties of N-methyl-4-[[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]methyl]benzamide?
N-methyl-4-[[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]methyl]benzamide has a molecular weight of 322.37 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]methyl]benzamide is sourced from PubChem (CID 133290911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).