N-(2,3-dihydro-1H-inden-1-yl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide

C19H22N4O2 — CID 53202058

IUPACN-(2,3-dihydro-1H-inden-1-yl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
SMILESO=C(NC1CCc2ccccc21)C1CCN(c2cn[nH]c(=O)c2)CC1
InChIInChI=1S/C19H22N4O2/c24-18-11-15(12-20-22-18)23-9-7-14(8-10-23)19(25)21-17-6-5-13-3-1-2-4-16(13)17/h1-4,11-12,14,17H,5-10H2,(H,21,25)(H,22,24)
InChIKeyWKOLJOZTMQHRGO-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.79
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-1-yl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide

N-(2,3-dihydro-1H-inden-1-yl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide (PubChem CID 53202058) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
PubChem CID53202058
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
SMILESO=C(NC1CCc2ccccc21)C1CCN(c2cn[nH]c(=O)c2)CC1
InChIInChI=1S/C19H22N4O2/c24-18-11-15(12-20-22-18)23-9-7-14(8-10-23)19(25)21-17-6-5-13-3-1-2-4-16(13)17/h1-4,11-12,14,17H,5-10H2,(H,21,25)(H,22,24)
InChIKeyWKOLJOZTMQHRGO-UHFFFAOYSA-N
XLogP1.79
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide (CID 53202058) is N-(2,3-dihydro-1H-inden-1-yl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide is O=C(NC1CCc2ccccc21)C1CCN(c2cn[nH]c(=O)c2)CC1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide?
The InChIKey is WKOLJOZTMQHRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-18-11-15(12-20-22-18)23-9-7-14(8-10-23)19(25)21-17-6-5-13-3-1-2-4-16(13)17/h1-4,11-12,14,17H,5-10H2,(H,21,25)(H,22,24).
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide?
N-(2,3-dihydro-1H-inden-1-yl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53202058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).