N,N-dimethyl-1-(6-oxo-1-propylpyridazine-3-carbonyl)pyrrolidine-2-carboxamide

C15H22N4O3 — CID 47020108

IUPACN,N-dimethyl-1-(6-oxo-1-propylpyridazine-3-carbonyl)pyrrolidine-2-carboxamide
SMILESCCCn1nc(C(=O)N2CCCC2C(=O)N(C)C)ccc1=O
InChIInChI=1S/C15H22N4O3/c1-4-9-19-13(20)8-7-11(16-19)14(21)18-10-5-6-12(18)15(22)17(2)3/h7-8,12H,4-6,9-10H2,1-3H3
InChIKeyHULVFBQLQGNUAR-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.35
Rot. Bonds4

About N,N-dimethyl-1-(6-oxo-1-propylpyridazine-3-carbonyl)pyrrolidine-2-carboxamide

N,N-dimethyl-1-(6-oxo-1-propylpyridazine-3-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 47020108) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is N,N-dimethyl-1-(6-oxo-1-propylpyridazine-3-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-(6-oxo-1-propylpyridazine-3-carbonyl)pyrrolidine-2-carboxamide
PubChem CID47020108
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC NameN,N-dimethyl-1-(6-oxo-1-propylpyridazine-3-carbonyl)pyrrolidine-2-carboxamide
SMILESCCCn1nc(C(=O)N2CCCC2C(=O)N(C)C)ccc1=O
InChIInChI=1S/C15H22N4O3/c1-4-9-19-13(20)8-7-11(16-19)14(21)18-10-5-6-12(18)15(22)17(2)3/h7-8,12H,4-6,9-10H2,1-3H3
InChIKeyHULVFBQLQGNUAR-UHFFFAOYSA-N
XLogP0.35
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(6-oxo-1-propylpyridazine-3-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of N,N-dimethyl-1-(6-oxo-1-propylpyridazine-3-carbonyl)pyrrolidine-2-carboxamide (CID 47020108) is N,N-dimethyl-1-(6-oxo-1-propylpyridazine-3-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-(6-oxo-1-propylpyridazine-3-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-1-(6-oxo-1-propylpyridazine-3-carbonyl)pyrrolidine-2-carboxamide is CCCn1nc(C(=O)N2CCCC2C(=O)N(C)C)ccc1=O.
What is the InChIKey of N,N-dimethyl-1-(6-oxo-1-propylpyridazine-3-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is HULVFBQLQGNUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-4-9-19-13(20)8-7-11(16-19)14(21)18-10-5-6-12(18)15(22)17(2)3/h7-8,12H,4-6,9-10H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(6-oxo-1-propylpyridazine-3-carbonyl)pyrrolidine-2-carboxamide?
N,N-dimethyl-1-(6-oxo-1-propylpyridazine-3-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 0.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(6-oxo-1-propylpyridazine-3-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 47020108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).