N-methyl-6-oxo-N-[(4-piperidin-1-ylphenyl)methyl]-1H-pyridazine-3-carboxamide

C18H22N4O2 — CID 31660617

IUPACN-methyl-6-oxo-N-[(4-piperidin-1-ylphenyl)methyl]-1H-pyridazine-3-carboxamide
SMILESCN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C18H22N4O2/c1-21(18(24)16-9-10-17(23)20-19-16)13-14-5-7-15(8-6-14)22-11-3-2-4-12-22/h5-10H,2-4,11-13H2,1H3,(H,20,23)
InChIKeyDIAXSGZSHRSRRI-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.03
Rot. Bonds4

About N-methyl-6-oxo-N-[(4-piperidin-1-ylphenyl)methyl]-1H-pyridazine-3-carboxamide

N-methyl-6-oxo-N-[(4-piperidin-1-ylphenyl)methyl]-1H-pyridazine-3-carboxamide (PubChem CID 31660617) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-methyl-6-oxo-N-[(4-piperidin-1-ylphenyl)methyl]-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-oxo-N-[(4-piperidin-1-ylphenyl)methyl]-1H-pyridazine-3-carboxamide
PubChem CID31660617
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-methyl-6-oxo-N-[(4-piperidin-1-ylphenyl)methyl]-1H-pyridazine-3-carboxamide
SMILESCN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C18H22N4O2/c1-21(18(24)16-9-10-17(23)20-19-16)13-14-5-7-15(8-6-14)22-11-3-2-4-12-22/h5-10H,2-4,11-13H2,1H3,(H,20,23)
InChIKeyDIAXSGZSHRSRRI-UHFFFAOYSA-N
XLogP2.03
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-oxo-N-[(4-piperidin-1-ylphenyl)methyl]-1H-pyridazine-3-carboxamide?
The IUPAC name of N-methyl-6-oxo-N-[(4-piperidin-1-ylphenyl)methyl]-1H-pyridazine-3-carboxamide (CID 31660617) is N-methyl-6-oxo-N-[(4-piperidin-1-ylphenyl)methyl]-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-methyl-6-oxo-N-[(4-piperidin-1-ylphenyl)methyl]-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-methyl-6-oxo-N-[(4-piperidin-1-ylphenyl)methyl]-1H-pyridazine-3-carboxamide is CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of N-methyl-6-oxo-N-[(4-piperidin-1-ylphenyl)methyl]-1H-pyridazine-3-carboxamide?
The InChIKey is DIAXSGZSHRSRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-21(18(24)16-9-10-17(23)20-19-16)13-14-5-7-15(8-6-14)22-11-3-2-4-12-22/h5-10H,2-4,11-13H2,1H3,(H,20,23).
What are the key properties of N-methyl-6-oxo-N-[(4-piperidin-1-ylphenyl)methyl]-1H-pyridazine-3-carboxamide?
N-methyl-6-oxo-N-[(4-piperidin-1-ylphenyl)methyl]-1H-pyridazine-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-oxo-N-[(4-piperidin-1-ylphenyl)methyl]-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 31660617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).