N-tert-butyl-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carboxamide

C15H25N5O2 — CID 90639762

IUPACN-tert-butyl-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carboxamide
SMILESCN(C)c1ccc(OC2CCN(C(=O)NC(C)(C)C)C2)nn1
InChIInChI=1S/C15H25N5O2/c1-15(2,3)16-14(21)20-9-8-11(10-20)22-13-7-6-12(17-18-13)19(4)5/h6-7,11H,8-10H2,1-5H3,(H,16,21)
InChIKeyPWQCZDKIWQKMMN-UHFFFAOYSA-N
MW307.40 g/mol
LogP1.50
Rot. Bonds3

About N-tert-butyl-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carboxamide

N-tert-butyl-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carboxamide (PubChem CID 90639762) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is N-tert-butyl-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carboxamide
PubChem CID90639762
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC NameN-tert-butyl-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carboxamide
SMILESCN(C)c1ccc(OC2CCN(C(=O)NC(C)(C)C)C2)nn1
InChIInChI=1S/C15H25N5O2/c1-15(2,3)16-14(21)20-9-8-11(10-20)22-13-7-6-12(17-18-13)19(4)5/h6-7,11H,8-10H2,1-5H3,(H,16,21)
InChIKeyPWQCZDKIWQKMMN-UHFFFAOYSA-N
XLogP1.50
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[6-(dimethylamino)pyridazin-3-yl]oxy-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 90639768
N-(4-chlorophenyl)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carboxamide
CID 90639766
3-[6-(dimethylamino)pyridazin-3-yl]oxy-N-(2-methoxyethyl)pyrrolidine-1-carboxamide
CID 90639804
N-benzyl-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carboxamide
CID 91627623
[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 91627626
[(3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-morpholin-4-ylmethanone
CID 100637237
3-[6-(dimethylamino)pyridazin-3-yl]oxy-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
CID 90639799
3-[6-(dimethylamino)pyridazin-3-yl]oxy-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide
CID 90639772
[(3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 100635081
[3,5-bis(trifluoromethyl)phenyl]-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]methanone
CID 90639568
(3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxy-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide
CID 100637128
(2-bromophenyl)-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]methanone
CID 90639547

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carboxamide?
The IUPAC name of N-tert-butyl-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carboxamide (CID 90639762) is N-tert-butyl-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carboxamide?
The canonical SMILES for N-tert-butyl-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carboxamide is CN(C)c1ccc(OC2CCN(C(=O)NC(C)(C)C)C2)nn1.
What is the InChIKey of N-tert-butyl-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carboxamide?
The InChIKey is PWQCZDKIWQKMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-15(2,3)16-14(21)20-9-8-11(10-20)22-13-7-6-12(17-18-13)19(4)5/h6-7,11H,8-10H2,1-5H3,(H,16,21).
What are the key properties of N-tert-butyl-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carboxamide?
N-tert-butyl-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carboxamide has a molecular weight of 307.40 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carboxamide is sourced from PubChem (CID 90639762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).