N-[(4-methylphenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide

C17H20N4O2 — CID 91909556

IUPACN-[(4-methylphenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(c3cn[nH]c(=O)c3)C2)cc1
InChIInChI=1S/C17H20N4O2/c1-12-2-4-13(5-3-12)9-18-17(23)14-6-7-21(11-14)15-8-16(22)20-19-10-15/h2-5,8,10,14H,6-7,9,11H2,1H3,(H,18,23)(H,20,22)
InChIKeyPOQSIRQXEMBYGX-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.22
Rot. Bonds4

About N-[(4-methylphenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide

N-[(4-methylphenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide (PubChem CID 91909556) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide
PubChem CID91909556
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-[(4-methylphenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(c3cn[nH]c(=O)c3)C2)cc1
InChIInChI=1S/C17H20N4O2/c1-12-2-4-13(5-3-12)9-18-17(23)14-6-7-21(11-14)15-8-16(22)20-19-10-15/h2-5,8,10,14H,6-7,9,11H2,1H3,(H,18,23)(H,20,22)
InChIKeyPOQSIRQXEMBYGX-UHFFFAOYSA-N
XLogP1.22
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide (CID 91909556) is N-[(4-methylphenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide is Cc1ccc(CNC(=O)C2CCN(c3cn[nH]c(=O)c3)C2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is POQSIRQXEMBYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-12-2-4-13(5-3-12)9-18-17(23)14-6-7-21(11-14)15-8-16(22)20-19-10-15/h2-5,8,10,14H,6-7,9,11H2,1H3,(H,18,23)(H,20,22).
What are the key properties of N-[(4-methylphenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide?
N-[(4-methylphenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 91909556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).