N-[4-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]butyl]pyridine-3-carboxamide;hydrochloride

C20H21ClN4O2 — CID 18977165

IUPACN-[4-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]butyl]pyridine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCCCc1ccc(-c2ccc(=O)[nH]n2)cc1)c1cccnc1
InChIInChI=1S/C20H20N4O2.ClH/c25-19-11-10-18(23-24-19)16-8-6-15(7-9-16)4-1-2-13-22-20(26)17-5-3-12-21-14-17;/h3,5-12,14H,1-2,4,13H2,(H,22,26)(H,24,25);1H
InChIKeyYTVJWXUDWOGKMO-UHFFFAOYSA-N
MW384.87 g/mol
LogP3.01
Rot. Bonds7

About N-[4-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]butyl]pyridine-3-carboxamide;hydrochloride

N-[4-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]butyl]pyridine-3-carboxamide;hydrochloride (PubChem CID 18977165) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is N-[4-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]butyl]pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]butyl]pyridine-3-carboxamide;hydrochloride
PubChem CID18977165
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC NameN-[4-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]butyl]pyridine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCCCc1ccc(-c2ccc(=O)[nH]n2)cc1)c1cccnc1
InChIInChI=1S/C20H20N4O2.ClH/c25-19-11-10-18(23-24-19)16-8-6-15(7-9-16)4-1-2-13-22-20(26)17-5-3-12-21-14-17;/h3,5-12,14H,1-2,4,13H2,(H,22,26)(H,24,25);1H
InChIKeyYTVJWXUDWOGKMO-UHFFFAOYSA-N
XLogP3.01
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 53.01
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-[5-[4-(6-oxo-1H-pyridazin-5-yl)phenyl]pentyl]pyridine-3-carboxamide
CID 67662070
6-oxo-N-[3-(pyridine-3-carbonylamino)propyl]-1H-pyridazine-3-carboxamide
CID 108926634
N-(4-pyridin-3-ylbutyl)pyridine-3-carboxamide
CID 110661295
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-octadecylpyridine-3-carboxamide
CID 3547337
N-(5-iodopentyl)pyridine-3-carboxamide
CID 107322434
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
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

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]butyl]pyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-[4-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]butyl]pyridine-3-carboxamide;hydrochloride (CID 18977165) is N-[4-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]butyl]pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]butyl]pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[4-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]butyl]pyridine-3-carboxamide;hydrochloride is Cl.O=C(NCCCCc1ccc(-c2ccc(=O)[nH]n2)cc1)c1cccnc1.
What is the InChIKey of N-[4-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]butyl]pyridine-3-carboxamide;hydrochloride?
The InChIKey is YTVJWXUDWOGKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2.ClH/c25-19-11-10-18(23-24-19)16-8-6-15(7-9-16)4-1-2-13-22-20(26)17-5-3-12-21-14-17;/h3,5-12,14H,1-2,4,13H2,(H,22,26)(H,24,25);1H.
What are the key properties of N-[4-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]butyl]pyridine-3-carboxamide;hydrochloride?
N-[4-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]butyl]pyridine-3-carboxamide;hydrochloride has a molecular weight of 384.87 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]butyl]pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 18977165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).