1-[2-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-methylamino]ethyl]pyridin-2-one

C18H23N5O — CID 126917477

IUPAC1-[2-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-methylamino]ethyl]pyridin-2-one
SMILESCN(CCn1ccccc1=O)C1CN(c2ccc(C3CC3)nn2)C1
InChIInChI=1S/C18H23N5O/c1-21(10-11-22-9-3-2-4-18(22)24)15-12-23(13-15)17-8-7-16(19-20-17)14-5-6-14/h2-4,7-9,14-15H,5-6,10-13H2,1H3
InChIKeyXIZSYUQKNHCVPU-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.34
Rot. Bonds6

About 1-[2-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-methylamino]ethyl]pyridin-2-one

1-[2-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-methylamino]ethyl]pyridin-2-one (PubChem CID 126917477) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 1-[2-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-methylamino]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-methylamino]ethyl]pyridin-2-one
PubChem CID126917477
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name1-[2-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-methylamino]ethyl]pyridin-2-one
SMILESCN(CCn1ccccc1=O)C1CN(c2ccc(C3CC3)nn2)C1
InChIInChI=1S/C18H23N5O/c1-21(10-11-22-9-3-2-4-18(22)24)15-12-23(13-15)17-8-7-16(19-20-17)14-5-6-14/h2-4,7-9,14-15H,5-6,10-13H2,1H3
InChIKeyXIZSYUQKNHCVPU-UHFFFAOYSA-N
XLogP1.34
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-(2-morpholin-4-ylethyl)azetidin-3-amine
CID 126917365
1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[2-(2-methyl-1,3-oxazol-5-yl)ethyl]azetidin-3-amine
CID 126917504
1-[2-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]ethyl]pyrazin-2-one
CID 126921830
1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]azetidin-3-amine
CID 126917379
1-(6-cyclopropylpyridazin-3-yl)-N-[(1,1-dioxothiolan-3-yl)methyl]-N-methylazetidin-3-amine
CID 126917570
N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N-methylpyrrolidine-1-sulfonamide
CID 126917333
1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-(1,2-thiazol-4-ylmethyl)azetidin-3-amine
CID 126917524
N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N-methylquinoxaline-2-carboxamide
CID 126917242
N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N,1-dimethylimidazole-2-sulfonamide
CID 126917414
1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]azetidin-3-amine
CID 126917500
1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azetidin-3-amine
CID 126917480
1-cyclopropyl-3-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-methylamino]pyrrolidin-2-one
CID 126917564

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-methylamino]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-methylamino]ethyl]pyridin-2-one (CID 126917477) is 1-[2-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-methylamino]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-methylamino]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-methylamino]ethyl]pyridin-2-one is CN(CCn1ccccc1=O)C1CN(c2ccc(C3CC3)nn2)C1.
What is the InChIKey of 1-[2-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-methylamino]ethyl]pyridin-2-one?
The InChIKey is XIZSYUQKNHCVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-21(10-11-22-9-3-2-4-18(22)24)15-12-23(13-15)17-8-7-16(19-20-17)14-5-6-14/h2-4,7-9,14-15H,5-6,10-13H2,1H3.
What are the key properties of 1-[2-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-methylamino]ethyl]pyridin-2-one?
1-[2-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-methylamino]ethyl]pyridin-2-one has a molecular weight of 325.42 g/mol, XLogP of 1.34, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-methylamino]ethyl]pyridin-2-one is sourced from PubChem (CID 126917477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).