N-[2-[benzyl(ethyl)amino]ethyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide

C20H27N5O2 — CID 91909568

IUPACN-[2-[benzyl(ethyl)amino]ethyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide
SMILESCCN(CCNC(=O)C1CCN(c2cn[nH]c(=O)c2)C1)Cc1ccccc1
InChIInChI=1S/C20H27N5O2/c1-2-24(14-16-6-4-3-5-7-16)11-9-21-20(27)17-8-10-25(15-17)18-12-19(26)23-22-13-18/h3-7,12-13,17H,2,8-11,14-15H2,1H3,(H,21,27)(H,23,26)
InChIKeySEYVGNBMLVWFTC-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.23
Rot. Bonds8

About N-[2-[benzyl(ethyl)amino]ethyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide

N-[2-[benzyl(ethyl)amino]ethyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide (PubChem CID 91909568) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[2-[benzyl(ethyl)amino]ethyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[benzyl(ethyl)amino]ethyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide
PubChem CID91909568
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC NameN-[2-[benzyl(ethyl)amino]ethyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide
SMILESCCN(CCNC(=O)C1CCN(c2cn[nH]c(=O)c2)C1)Cc1ccccc1
InChIInChI=1S/C20H27N5O2/c1-2-24(14-16-6-4-3-5-7-16)11-9-21-20(27)17-8-10-25(15-17)18-12-19(26)23-22-13-18/h3-7,12-13,17H,2,8-11,14-15H2,1H3,(H,21,27)(H,23,26)
InChIKeySEYVGNBMLVWFTC-UHFFFAOYSA-N
XLogP1.23
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(ethyl)amino]ethyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-[benzyl(ethyl)amino]ethyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide (CID 91909568) is N-[2-[benzyl(ethyl)amino]ethyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-[benzyl(ethyl)amino]ethyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-[benzyl(ethyl)amino]ethyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide is CCN(CCNC(=O)C1CCN(c2cn[nH]c(=O)c2)C1)Cc1ccccc1.
What is the InChIKey of N-[2-[benzyl(ethyl)amino]ethyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is SEYVGNBMLVWFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-2-24(14-16-6-4-3-5-7-16)11-9-21-20(27)17-8-10-25(15-17)18-12-19(26)23-22-13-18/h3-7,12-13,17H,2,8-11,14-15H2,1H3,(H,21,27)(H,23,26).
What are the key properties of N-[2-[benzyl(ethyl)amino]ethyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide?
N-[2-[benzyl(ethyl)amino]ethyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 1.23, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(ethyl)amino]ethyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 91909568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).