N,1-dimethyl-N-(5-phenylpyridazin-3-yl)pyrrolidine-3-carboxamide

C17H20N4O — CID 130356631

IUPACN,1-dimethyl-N-(5-phenylpyridazin-3-yl)pyrrolidine-3-carboxamide
SMILESCN1CCC(C(=O)N(C)c2cc(-c3ccccc3)cnn2)C1
InChIInChI=1S/C17H20N4O/c1-20-9-8-14(12-20)17(22)21(2)16-10-15(11-18-19-16)13-6-4-3-5-7-13/h3-7,10-11,14H,8-9,12H2,1-2H3
InChIKeyZSQSUKLGJGGHHR-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.06
Rot. Bonds3

About N,1-dimethyl-N-(5-phenylpyridazin-3-yl)pyrrolidine-3-carboxamide

N,1-dimethyl-N-(5-phenylpyridazin-3-yl)pyrrolidine-3-carboxamide (PubChem CID 130356631) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N,1-dimethyl-N-(5-phenylpyridazin-3-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-(5-phenylpyridazin-3-yl)pyrrolidine-3-carboxamide
PubChem CID130356631
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN,1-dimethyl-N-(5-phenylpyridazin-3-yl)pyrrolidine-3-carboxamide
SMILESCN1CCC(C(=O)N(C)c2cc(-c3ccccc3)cnn2)C1
InChIInChI=1S/C17H20N4O/c1-20-9-8-14(12-20)17(22)21(2)16-10-15(11-18-19-16)13-6-4-3-5-7-13/h3-7,10-11,14H,8-9,12H2,1-2H3
InChIKeyZSQSUKLGJGGHHR-UHFFFAOYSA-N
XLogP2.06
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-(5-phenylpyridazin-3-yl)pyrrolidine-3-carboxamide?
The IUPAC name of N,1-dimethyl-N-(5-phenylpyridazin-3-yl)pyrrolidine-3-carboxamide (CID 130356631) is N,1-dimethyl-N-(5-phenylpyridazin-3-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-(5-phenylpyridazin-3-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for N,1-dimethyl-N-(5-phenylpyridazin-3-yl)pyrrolidine-3-carboxamide is CN1CCC(C(=O)N(C)c2cc(-c3ccccc3)cnn2)C1.
What is the InChIKey of N,1-dimethyl-N-(5-phenylpyridazin-3-yl)pyrrolidine-3-carboxamide?
The InChIKey is ZSQSUKLGJGGHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-20-9-8-14(12-20)17(22)21(2)16-10-15(11-18-19-16)13-6-4-3-5-7-13/h3-7,10-11,14H,8-9,12H2,1-2H3.
What are the key properties of N,1-dimethyl-N-(5-phenylpyridazin-3-yl)pyrrolidine-3-carboxamide?
N,1-dimethyl-N-(5-phenylpyridazin-3-yl)pyrrolidine-3-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-(5-phenylpyridazin-3-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 130356631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).