3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]-N-cyclopentylazetidine-1-carboxamide

C18H28N4O2 — CID 126927651

IUPAC3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]-N-cyclopentylazetidine-1-carboxamide
SMILESCC(C)(C)c1ccc(=O)n(CC2CN(C(=O)NC3CCCC3)C2)n1
InChIInChI=1S/C18H28N4O2/c1-18(2,3)15-8-9-16(23)22(20-15)12-13-10-21(11-13)17(24)19-14-6-4-5-7-14/h8-9,13-14H,4-7,10-12H2,1-3H3,(H,19,24)
InChIKeyLZKCWOWAIKMJJG-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.12
Rot. Bonds3

About 3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]-N-cyclopentylazetidine-1-carboxamide

3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]-N-cyclopentylazetidine-1-carboxamide (PubChem CID 126927651) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]-N-cyclopentylazetidine-1-carboxamide.

Molecular Properties

Compound Name3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]-N-cyclopentylazetidine-1-carboxamide
PubChem CID126927651
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]-N-cyclopentylazetidine-1-carboxamide
SMILESCC(C)(C)c1ccc(=O)n(CC2CN(C(=O)NC3CCCC3)C2)n1
InChIInChI=1S/C18H28N4O2/c1-18(2,3)15-8-9-16(23)22(20-15)12-13-10-21(11-13)17(24)19-14-6-4-5-7-14/h8-9,13-14H,4-7,10-12H2,1-3H3,(H,19,24)
InChIKeyLZKCWOWAIKMJJG-UHFFFAOYSA-N
XLogP2.12
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-3-[(6-oxo-3-pyridin-4-ylpyridazin-1-yl)methyl]azetidine-1-carboxamide
CID 126929617
6-tert-butyl-2-[[1-(2-hydroxycyclohexyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126928030
N-cyclopentyl-3-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]azetidine-1-carboxamide
CID 126928517
6-tert-butyl-2-[[1-(2-pyrrolidin-1-ylethyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927754
6-tert-butyl-2-[[1-[(1-hydroxycyclobutyl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126928028
3-[3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]azetidin-1-yl]azepan-2-one
CID 126927955
4-[3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]azetidine-1-carbonyl]-1H-quinolin-2-one
CID 126927665
2-[[1-(1-benzofuran-2-carbonyl)azetidin-3-yl]methyl]-6-tert-butylpyridazin-3-one
CID 126927619
6-tert-butyl-2-[[1-(2-phenyltriazole-4-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927609
6-tert-butyl-2-[[1-(1H-indole-2-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927610
6-tert-butyl-2-[[1-(2-morpholin-4-ylethyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927752
6-tert-butyl-2-[[1-(5-oxopyrrolidine-2-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126862227

Frequently Asked Questions

What is the IUPAC name of 3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]-N-cyclopentylazetidine-1-carboxamide?
The IUPAC name of 3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]-N-cyclopentylazetidine-1-carboxamide (CID 126927651) is 3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]-N-cyclopentylazetidine-1-carboxamide.
What is the SMILES notation for 3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]-N-cyclopentylazetidine-1-carboxamide?
The canonical SMILES for 3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]-N-cyclopentylazetidine-1-carboxamide is CC(C)(C)c1ccc(=O)n(CC2CN(C(=O)NC3CCCC3)C2)n1.
What is the InChIKey of 3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]-N-cyclopentylazetidine-1-carboxamide?
The InChIKey is LZKCWOWAIKMJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-18(2,3)15-8-9-16(23)22(20-15)12-13-10-21(11-13)17(24)19-14-6-4-5-7-14/h8-9,13-14H,4-7,10-12H2,1-3H3,(H,19,24).
What are the key properties of 3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]-N-cyclopentylazetidine-1-carboxamide?
3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]-N-cyclopentylazetidine-1-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]-N-cyclopentylazetidine-1-carboxamide is sourced from PubChem (CID 126927651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).