6-[(3-methylphenyl)methylamino]-N-pentylpyridazine-3-carboxamide

C18H24N4O — CID 109118268

IUPAC6-[(3-methylphenyl)methylamino]-N-pentylpyridazine-3-carboxamide
SMILESCCCCCNC(=O)c1ccc(NCc2cccc(C)c2)nn1
InChIInChI=1S/C18H24N4O/c1-3-4-5-11-19-18(23)16-9-10-17(22-21-16)20-13-15-8-6-7-14(2)12-15/h6-10,12H,3-5,11,13H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyYRIZJWLOEGLLKZ-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.32
Rot. Bonds8

About 6-[(3-methylphenyl)methylamino]-N-pentylpyridazine-3-carboxamide

6-[(3-methylphenyl)methylamino]-N-pentylpyridazine-3-carboxamide (PubChem CID 109118268) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 6-[(3-methylphenyl)methylamino]-N-pentylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(3-methylphenyl)methylamino]-N-pentylpyridazine-3-carboxamide
PubChem CID109118268
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name6-[(3-methylphenyl)methylamino]-N-pentylpyridazine-3-carboxamide
SMILESCCCCCNC(=O)c1ccc(NCc2cccc(C)c2)nn1
InChIInChI=1S/C18H24N4O/c1-3-4-5-11-19-18(23)16-9-10-17(22-21-16)20-13-15-8-6-7-14(2)12-15/h6-10,12H,3-5,11,13H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyYRIZJWLOEGLLKZ-UHFFFAOYSA-N
XLogP3.32
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(3-methylphenyl)methylamino]-N-pentylpyrazine-2-carboxamide
CID 109280397
6-[(3-methylphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109118240
N-[(4-fluorophenyl)methyl]-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118231
N-cyclopentyl-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109112282
N,N-diethyl-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118261
N-butyl-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide
CID 109110806
N-[2-(1H-indol-3-yl)ethyl]-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118252
N-butyl-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109110791
N-(1,3-benzodioxol-5-ylmethyl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118236
N-(2-methoxy-5-methylphenyl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118309
6-[2-(4-chlorophenyl)ethylamino]-N-pentylpyridazine-3-carboxamide
CID 109123350
N-butyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109110804

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methylphenyl)methylamino]-N-pentylpyridazine-3-carboxamide?
The IUPAC name of 6-[(3-methylphenyl)methylamino]-N-pentylpyridazine-3-carboxamide (CID 109118268) is 6-[(3-methylphenyl)methylamino]-N-pentylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[(3-methylphenyl)methylamino]-N-pentylpyridazine-3-carboxamide?
The canonical SMILES for 6-[(3-methylphenyl)methylamino]-N-pentylpyridazine-3-carboxamide is CCCCCNC(=O)c1ccc(NCc2cccc(C)c2)nn1.
What is the InChIKey of 6-[(3-methylphenyl)methylamino]-N-pentylpyridazine-3-carboxamide?
The InChIKey is YRIZJWLOEGLLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-3-4-5-11-19-18(23)16-9-10-17(22-21-16)20-13-15-8-6-7-14(2)12-15/h6-10,12H,3-5,11,13H2,1-2H3,(H,19,23)(H,20,22).
What are the key properties of 6-[(3-methylphenyl)methylamino]-N-pentylpyridazine-3-carboxamide?
6-[(3-methylphenyl)methylamino]-N-pentylpyridazine-3-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methylphenyl)methylamino]-N-pentylpyridazine-3-carboxamide is sourced from PubChem (CID 109118268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).