4-(6-oxo-1H-pyridazin-3-yl)-N-(3-piperidin-1-ylpropyl)benzamide

C19H24N4O2 — CID 59406782

IUPAC4-(6-oxo-1H-pyridazin-3-yl)-N-(3-piperidin-1-ylpropyl)benzamide
SMILESO=C(NCCCN1CCCCC1)c1ccc(-c2ccc(=O)[nH]n2)cc1
InChIInChI=1S/C19H24N4O2/c24-18-10-9-17(21-22-18)15-5-7-16(8-6-15)19(25)20-11-4-14-23-12-2-1-3-13-23/h5-10H,1-4,11-14H2,(H,20,25)(H,22,24)
InChIKeyDILMPWOHBUBOPB-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.04
Rot. Bonds6

About 4-(6-oxo-1H-pyridazin-3-yl)-N-(3-piperidin-1-ylpropyl)benzamide

4-(6-oxo-1H-pyridazin-3-yl)-N-(3-piperidin-1-ylpropyl)benzamide (PubChem CID 59406782) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 4-(6-oxo-1H-pyridazin-3-yl)-N-(3-piperidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name4-(6-oxo-1H-pyridazin-3-yl)-N-(3-piperidin-1-ylpropyl)benzamide
PubChem CID59406782
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name4-(6-oxo-1H-pyridazin-3-yl)-N-(3-piperidin-1-ylpropyl)benzamide
SMILESO=C(NCCCN1CCCCC1)c1ccc(-c2ccc(=O)[nH]n2)cc1
InChIInChI=1S/C19H24N4O2/c24-18-10-9-17(21-22-18)15-5-7-16(8-6-15)19(25)20-11-4-14-23-12-2-1-3-13-23/h5-10H,1-4,11-14H2,(H,20,25)(H,22,24)
InChIKeyDILMPWOHBUBOPB-UHFFFAOYSA-N
XLogP2.04
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.04
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

6-(4-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
CID 53035860
N-(3-morpholin-4-ylpropyl)-4-(6-piperidin-1-ylpyridazin-3-yl)benzamide
CID 53098773
4-cyano-N-(3-piperidin-1-ylpropyl)benzamide
CID 11608750
N-[3-(azepan-1-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 86911974
4-(piperidin-1-ylsulfonylmethyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 28566921
N-[4-(azepan-1-yl)butyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 70712358
N-(3-piperidin-1-ylpropyl)-4-pyrrol-1-ylbenzamide
CID 11630984
4-(diethylamino)-N-(3-piperidin-1-ylpropyl)benzamide
CID 11638289
N-[3-(azepan-1-yl)propyl]-4-(cyclopropylsulfamoyl)benzamide
CID 30942685
9-oxo-N-(3-piperidin-1-ylpropyl)fluorene-2-carboxamide
CID 25467153
4-(dimethylamino)-N-(4-piperidin-1-ylbutyl)benzamide
CID 110444431
N-(4-piperidin-1-ylbutyl)-4-pyrrol-1-ylbenzamide
CID 110440991

Frequently Asked Questions

What is the IUPAC name of 4-(6-oxo-1H-pyridazin-3-yl)-N-(3-piperidin-1-ylpropyl)benzamide?
The IUPAC name of 4-(6-oxo-1H-pyridazin-3-yl)-N-(3-piperidin-1-ylpropyl)benzamide (CID 59406782) is 4-(6-oxo-1H-pyridazin-3-yl)-N-(3-piperidin-1-ylpropyl)benzamide.
What is the SMILES notation for 4-(6-oxo-1H-pyridazin-3-yl)-N-(3-piperidin-1-ylpropyl)benzamide?
The canonical SMILES for 4-(6-oxo-1H-pyridazin-3-yl)-N-(3-piperidin-1-ylpropyl)benzamide is O=C(NCCCN1CCCCC1)c1ccc(-c2ccc(=O)[nH]n2)cc1.
What is the InChIKey of 4-(6-oxo-1H-pyridazin-3-yl)-N-(3-piperidin-1-ylpropyl)benzamide?
The InChIKey is DILMPWOHBUBOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c24-18-10-9-17(21-22-18)15-5-7-16(8-6-15)19(25)20-11-4-14-23-12-2-1-3-13-23/h5-10H,1-4,11-14H2,(H,20,25)(H,22,24).
What are the key properties of 4-(6-oxo-1H-pyridazin-3-yl)-N-(3-piperidin-1-ylpropyl)benzamide?
4-(6-oxo-1H-pyridazin-3-yl)-N-(3-piperidin-1-ylpropyl)benzamide has a molecular weight of 340.43 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-oxo-1H-pyridazin-3-yl)-N-(3-piperidin-1-ylpropyl)benzamide is sourced from PubChem (CID 59406782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).