N-[3-(dimethylamino)propyl]-6-methylpyridazine-3-carboxamide

C11H18N4O — CID 110705198

IUPACN-[3-(dimethylamino)propyl]-6-methylpyridazine-3-carboxamide
SMILESCc1ccc(C(=O)NCCCN(C)C)nn1
InChIInChI=1S/C11H18N4O/c1-9-5-6-10(14-13-9)11(16)12-7-4-8-15(2)3/h5-6H,4,7-8H2,1-3H3,(H,12,16)
InChIKeyLRBAUDFVFXNRIL-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.47
Rot. Bonds5

About N-[3-(dimethylamino)propyl]-6-methylpyridazine-3-carboxamide

N-[3-(dimethylamino)propyl]-6-methylpyridazine-3-carboxamide (PubChem CID 110705198) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-6-methylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-6-methylpyridazine-3-carboxamide
PubChem CID110705198
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN-[3-(dimethylamino)propyl]-6-methylpyridazine-3-carboxamide
SMILESCc1ccc(C(=O)NCCCN(C)C)nn1
InChIInChI=1S/C11H18N4O/c1-9-5-6-10(14-13-9)11(16)12-7-4-8-15(2)3/h5-6H,4,7-8H2,1-3H3,(H,12,16)
InChIKeyLRBAUDFVFXNRIL-UHFFFAOYSA-N
XLogP0.47
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide
CID 109115782
6-methyl-N-propylpyridazine-3-carboxamide
CID 110705181
N-[5-(dimethylamino)pentyl]-6-(18F)fluoropyridazine-3-carboxamide
CID 154026060
N-[3-(dimethylamino)propyl]-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109116007
6-(76Br)bromo-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
CID 154026049
6-chloro-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
CID 60859027
N-[(2S)-2-hydroxypropyl]-6-methylpyridazine-3-carboxamide
CID 131169237
N-[2-(dimethylamino)ethyl]-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide
CID 109115146
N-[3-(dimethylamino)propyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109116042
N-[3-(dimethylamino)propyl]-6-(2-ethyl-6-methylanilino)pyridazine-3-carboxamide
CID 109116034
N-[3-(dimethylamino)propyl]-6-(1-phenylethylamino)pyridazine-3-carboxamide
CID 109115961
N-(2-hydroxy-2-methylpropyl)-6-methylpyridazine-3-carboxamide
CID 118545198

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-6-methylpyridazine-3-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-6-methylpyridazine-3-carboxamide (CID 110705198) is N-[3-(dimethylamino)propyl]-6-methylpyridazine-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-6-methylpyridazine-3-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-6-methylpyridazine-3-carboxamide is Cc1ccc(C(=O)NCCCN(C)C)nn1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-6-methylpyridazine-3-carboxamide?
The InChIKey is LRBAUDFVFXNRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-9-5-6-10(14-13-9)11(16)12-7-4-8-15(2)3/h5-6H,4,7-8H2,1-3H3,(H,12,16).
What are the key properties of N-[3-(dimethylamino)propyl]-6-methylpyridazine-3-carboxamide?
N-[3-(dimethylamino)propyl]-6-methylpyridazine-3-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-6-methylpyridazine-3-carboxamide is sourced from PubChem (CID 110705198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).