N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide

C18H27N5O2 — CID 126918088

IUPACN-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)N(C)C2CN(c3ccc(C(C)(C)C)nn3)C2)CC1=O
InChIInChI=1S/C18H27N5O2/c1-18(2,3)14-6-7-15(20-19-14)23-10-13(11-23)22(5)17(25)12-8-16(24)21(4)9-12/h6-7,12-13H,8-11H2,1-5H3
InChIKeyDQDNNCQDTZQJCD-UHFFFAOYSA-N
MW345.45 g/mol
LogP0.90
Rot. Bonds3

About N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide

N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 126918088) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide
PubChem CID126918088
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC NameN-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)N(C)C2CN(c3ccc(C(C)(C)C)nn3)C2)CC1=O
InChIInChI=1S/C18H27N5O2/c1-18(2,3)14-6-7-15(20-19-14)23-10-13(11-23)22(5)17(25)12-8-16(24)21(4)9-12/h6-7,12-13H,8-11H2,1-5H3
InChIKeyDQDNNCQDTZQJCD-UHFFFAOYSA-N
XLogP0.90
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide (CID 126918088) is N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide is CN1CC(C(=O)N(C)C2CN(c3ccc(C(C)(C)C)nn3)C2)CC1=O.
What is the InChIKey of N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DQDNNCQDTZQJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-18(2,3)14-6-7-15(20-19-14)23-10-13(11-23)22(5)17(25)12-8-16(24)21(4)9-12/h6-7,12-13H,8-11H2,1-5H3.
What are the key properties of N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide?
N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 126918088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).