N-[5-(dimethylamino)pentyl]-6-(18F)fluoropyridazine-3-carboxamide

C12H19FN4O — CID 154026060

IUPACN-[5-(dimethylamino)pentyl]-6-(18F)fluoropyridazine-3-carboxamide
SMILESCN(C)CCCCCNC(=O)c1ccc([18F])nn1
InChIInChI=1S/C12H19FN4O/c1-17(2)9-5-3-4-8-14-12(18)10-6-7-11(13)16-15-10/h6-7H,3-5,8-9H2,1-2H3,(H,14,18)/i13-1
InChIKeySNADHZAHSDSIAO-HSGWXFLFSA-N
MW253.31 g/mol
LogP1.08
Rot. Bonds7

About N-[5-(dimethylamino)pentyl]-6-(18F)fluoropyridazine-3-carboxamide

N-[5-(dimethylamino)pentyl]-6-(18F)fluoropyridazine-3-carboxamide (PubChem CID 154026060) has the molecular formula C12H19FN4O and a molecular weight of 253.31 g/mol. Its IUPAC name is N-[5-(dimethylamino)pentyl]-6-(18F)fluoropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(dimethylamino)pentyl]-6-(18F)fluoropyridazine-3-carboxamide
PubChem CID154026060
Molecular FormulaC12H19FN4O
Molecular Weight253.31 g/mol
Exact Mass253.16
IUPAC NameN-[5-(dimethylamino)pentyl]-6-(18F)fluoropyridazine-3-carboxamide
SMILESCN(C)CCCCCNC(=O)c1ccc([18F])nn1
InChIInChI=1S/C12H19FN4O/c1-17(2)9-5-3-4-8-14-12(18)10-6-7-11(13)16-15-10/h6-7H,3-5,8-9H2,1-2H3,(H,14,18)/i13-1
InChIKeySNADHZAHSDSIAO-HSGWXFLFSA-N
XLogP1.08
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.08
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-methylpyridazine-3-carboxamide
CID 110705198
N-[3-(dimethylamino)propyl]-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide
CID 109115782
N-[6-(dimethylamino)hexyl]-6-(18F)fluoropyridine-3-carboxamide
CID 154026015
N-[3-(dimethylamino)propyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109116042
N-[5-(dimethylamino)pentyl]-5-(123I)iodopyridine-2-carboxamide
CID 154026036
N-[6-(dimethylamino)hexyl]-5-(124I)iodopyridine-2-carboxamide
CID 154026042
N-[3-(dimethylamino)propyl]-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109116007
6-chloro-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
CID 60859027
6-(76Br)bromo-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
CID 154026049
N-[3-(dimethylamino)propyl]-4-fluorobenzamide
CID 2249894
N-[2-(dimethylamino)ethyl]-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide
CID 109115146
6-[4-(dimethylamino)butylamino]-N-methylpyridazine-3-carboxamide
CID 79207291

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylamino)pentyl]-6-(18F)fluoropyridazine-3-carboxamide?
The IUPAC name of N-[5-(dimethylamino)pentyl]-6-(18F)fluoropyridazine-3-carboxamide (CID 154026060) is N-[5-(dimethylamino)pentyl]-6-(18F)fluoropyridazine-3-carboxamide.
What is the SMILES notation for N-[5-(dimethylamino)pentyl]-6-(18F)fluoropyridazine-3-carboxamide?
The canonical SMILES for N-[5-(dimethylamino)pentyl]-6-(18F)fluoropyridazine-3-carboxamide is CN(C)CCCCCNC(=O)c1ccc([18F])nn1.
What is the InChIKey of N-[5-(dimethylamino)pentyl]-6-(18F)fluoropyridazine-3-carboxamide?
The InChIKey is SNADHZAHSDSIAO-HSGWXFLFSA-N. The full InChI is InChI=1S/C12H19FN4O/c1-17(2)9-5-3-4-8-14-12(18)10-6-7-11(13)16-15-10/h6-7H,3-5,8-9H2,1-2H3,(H,14,18)/i13-1.
What are the key properties of N-[5-(dimethylamino)pentyl]-6-(18F)fluoropyridazine-3-carboxamide?
N-[5-(dimethylamino)pentyl]-6-(18F)fluoropyridazine-3-carboxamide has a molecular weight of 253.31 g/mol, XLogP of 1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylamino)pentyl]-6-(18F)fluoropyridazine-3-carboxamide is sourced from PubChem (CID 154026060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).