N-tert-butyl-1-(6-tert-butylpyridazin-3-yl)azetidine-3-carboxamide

C16H26N4O — CID 165434484

IUPACN-tert-butyl-1-(6-tert-butylpyridazin-3-yl)azetidine-3-carboxamide
SMILESCC(C)(C)NC(=O)C1CN(c2ccc(C(C)(C)C)nn2)C1
InChIInChI=1S/C16H26N4O/c1-15(2,3)12-7-8-13(19-18-12)20-9-11(10-20)14(21)17-16(4,5)6/h7-8,11H,9-10H2,1-6H3,(H,17,21)
InChIKeyGGRZPDRKSIGCKO-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.12
Rot. Bonds2

About N-tert-butyl-1-(6-tert-butylpyridazin-3-yl)azetidine-3-carboxamide

N-tert-butyl-1-(6-tert-butylpyridazin-3-yl)azetidine-3-carboxamide (PubChem CID 165434484) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-tert-butyl-1-(6-tert-butylpyridazin-3-yl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-(6-tert-butylpyridazin-3-yl)azetidine-3-carboxamide
PubChem CID165434484
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-tert-butyl-1-(6-tert-butylpyridazin-3-yl)azetidine-3-carboxamide
SMILESCC(C)(C)NC(=O)C1CN(c2ccc(C(C)(C)C)nn2)C1
InChIInChI=1S/C16H26N4O/c1-15(2,3)12-7-8-13(19-18-12)20-9-11(10-20)14(21)17-16(4,5)6/h7-8,11H,9-10H2,1-6H3,(H,17,21)
InChIKeyGGRZPDRKSIGCKO-UHFFFAOYSA-N
XLogP2.12
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-morpholin-4-ylmethanone
CID 163352719
N-tert-butyl-1-[5-(trifluoromethyl)-2-pyridinyl]azetidine-3-carboxamide
CID 165434491
3-tert-butyl-6-(3,5-dimethylpiperidin-1-yl)pyridazine
CID 129258348
N-tert-butyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidine-3-carboxamide
CID 165434542
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(6-tert-butylpyridazin-3-yl)pyrrolidin-3-yl]methanone
CID 175648275
N-tert-butyl-1-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 172890921
[2-(6-tert-butylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyridin-4-ylmethanone
CID 146080091
N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methylmethanesulfonamide
CID 126918115
N-tert-butyl-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168055
N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide
CID 126918088
N-tert-butyl-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidine-3-carboxamide
CID 166603155
(3S)-1-(6-tert-butylpyridazin-3-yl)piperidin-3-ol
CID 134595598

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(6-tert-butylpyridazin-3-yl)azetidine-3-carboxamide?
The IUPAC name of N-tert-butyl-1-(6-tert-butylpyridazin-3-yl)azetidine-3-carboxamide (CID 165434484) is N-tert-butyl-1-(6-tert-butylpyridazin-3-yl)azetidine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-1-(6-tert-butylpyridazin-3-yl)azetidine-3-carboxamide?
The canonical SMILES for N-tert-butyl-1-(6-tert-butylpyridazin-3-yl)azetidine-3-carboxamide is CC(C)(C)NC(=O)C1CN(c2ccc(C(C)(C)C)nn2)C1.
What is the InChIKey of N-tert-butyl-1-(6-tert-butylpyridazin-3-yl)azetidine-3-carboxamide?
The InChIKey is GGRZPDRKSIGCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-15(2,3)12-7-8-13(19-18-12)20-9-11(10-20)14(21)17-16(4,5)6/h7-8,11H,9-10H2,1-6H3,(H,17,21).
What are the key properties of N-tert-butyl-1-(6-tert-butylpyridazin-3-yl)azetidine-3-carboxamide?
N-tert-butyl-1-(6-tert-butylpyridazin-3-yl)azetidine-3-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(6-tert-butylpyridazin-3-yl)azetidine-3-carboxamide is sourced from PubChem (CID 165434484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).