N-[5-[4-(6-oxo-1H-pyridazin-5-yl)phenyl]pentyl]pyridine-3-carboxamide

C21H22N4O2 — CID 67662070

IUPACN-[5-[4-(6-oxo-1H-pyridazin-5-yl)phenyl]pentyl]pyridine-3-carboxamide
SMILESO=C(NCCCCCc1ccc(-c2ccn[nH]c2=O)cc1)c1cccnc1
InChIInChI=1S/C21H22N4O2/c26-20(18-6-4-12-22-15-18)23-13-3-1-2-5-16-7-9-17(10-8-16)19-11-14-24-25-21(19)27/h4,6-12,14-15H,1-3,5,13H2,(H,23,26)(H,25,27)
InChIKeySXQWPJAHAUMQCW-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.97
Rot. Bonds8

About N-[5-[4-(6-oxo-1H-pyridazin-5-yl)phenyl]pentyl]pyridine-3-carboxamide

N-[5-[4-(6-oxo-1H-pyridazin-5-yl)phenyl]pentyl]pyridine-3-carboxamide (PubChem CID 67662070) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[5-[4-(6-oxo-1H-pyridazin-5-yl)phenyl]pentyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[4-(6-oxo-1H-pyridazin-5-yl)phenyl]pentyl]pyridine-3-carboxamide
PubChem CID67662070
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-[5-[4-(6-oxo-1H-pyridazin-5-yl)phenyl]pentyl]pyridine-3-carboxamide
SMILESO=C(NCCCCCc1ccc(-c2ccn[nH]c2=O)cc1)c1cccnc1
InChIInChI=1S/C21H22N4O2/c26-20(18-6-4-12-22-15-18)23-13-3-1-2-5-16-7-9-17(10-8-16)19-11-14-24-25-21(19)27/h4,6-12,14-15H,1-3,5,13H2,(H,23,26)(H,25,27)
InChIKeySXQWPJAHAUMQCW-UHFFFAOYSA-N
XLogP2.97
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.97
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

N-[4-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]butyl]pyridine-3-carboxamide;hydrochloride
CID 18977165
N-(4-pyridin-3-ylbutyl)pyridine-3-carboxamide
CID 110661295
5-[4-(6-aminohexyl)phenyl]-1H-pyridazin-6-one
CID 67662189
N-(5-iodopentyl)pyridine-3-carboxamide
CID 107322434
N-octadecylpyridine-3-carboxamide
CID 3547337
N-[3-(4-quinolin-6-ylphenyl)propyl]pyridine-3-carboxamide
CID 158758339
N-[2-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]ethyl]pyridine-3-carboxamide
CID 21465237
N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-3-carboxamide
CID 64548665
N-[8-(pyridine-3-carbonylamino)octyl]pyridine-3-carboxamide;1,1,2,2-tetrafluoro-1,2-diiodoethane
CID 139199292
N-(3-chloropropyl)pyridine-3-carboxamide
CID 17164667
N-[3-(3-hydroxyphenyl)propyl]pyridine-3-carboxamide
CID 84509269
N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2989240

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(6-oxo-1H-pyridazin-5-yl)phenyl]pentyl]pyridine-3-carboxamide?
The IUPAC name of N-[5-[4-(6-oxo-1H-pyridazin-5-yl)phenyl]pentyl]pyridine-3-carboxamide (CID 67662070) is N-[5-[4-(6-oxo-1H-pyridazin-5-yl)phenyl]pentyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[4-(6-oxo-1H-pyridazin-5-yl)phenyl]pentyl]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[4-(6-oxo-1H-pyridazin-5-yl)phenyl]pentyl]pyridine-3-carboxamide is O=C(NCCCCCc1ccc(-c2ccn[nH]c2=O)cc1)c1cccnc1.
What is the InChIKey of N-[5-[4-(6-oxo-1H-pyridazin-5-yl)phenyl]pentyl]pyridine-3-carboxamide?
The InChIKey is SXQWPJAHAUMQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c26-20(18-6-4-12-22-15-18)23-13-3-1-2-5-16-7-9-17(10-8-16)19-11-14-24-25-21(19)27/h4,6-12,14-15H,1-3,5,13H2,(H,23,26)(H,25,27).
What are the key properties of N-[5-[4-(6-oxo-1H-pyridazin-5-yl)phenyl]pentyl]pyridine-3-carboxamide?
N-[5-[4-(6-oxo-1H-pyridazin-5-yl)phenyl]pentyl]pyridine-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(6-oxo-1H-pyridazin-5-yl)phenyl]pentyl]pyridine-3-carboxamide is sourced from PubChem (CID 67662070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).