N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N-methyl-5-oxo-1-phenylpyrrolidine-3-carboxamide

C22H25N5O2 — CID 126917233

IUPACN-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N-methyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCN(C(=O)C1CC(=O)N(c2ccccc2)C1)C1CN(c2ccc(C3CC3)nn2)C1
InChIInChI=1S/C22H25N5O2/c1-25(18-13-26(14-18)20-10-9-19(23-24-20)15-7-8-15)22(29)16-11-21(28)27(12-16)17-5-3-2-4-6-17/h2-6,9-10,15-16,18H,7-8,11-14H2,1H3
InChIKeyVSEVEJSBFOXUOC-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.05
Rot. Bonds5

About N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N-methyl-5-oxo-1-phenylpyrrolidine-3-carboxamide

N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N-methyl-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 126917233) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N-methyl-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N-methyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID126917233
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N-methyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCN(C(=O)C1CC(=O)N(c2ccccc2)C1)C1CN(c2ccc(C3CC3)nn2)C1
InChIInChI=1S/C22H25N5O2/c1-25(18-13-26(14-18)20-10-9-19(23-24-20)15-7-8-15)22(29)16-11-21(28)27(12-16)17-5-3-2-4-6-17/h2-6,9-10,15-16,18H,7-8,11-14H2,1H3
InChIKeyVSEVEJSBFOXUOC-UHFFFAOYSA-N
XLogP2.05
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N,N-dimethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350614
N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide
CID 126918088
(3S)-N-methyl-5-oxo-N,1-diphenylpyrrolidine-3-carboxamide
CID 40720221
N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N-methylquinoxaline-2-carboxamide
CID 126917242
(3S)-N,N-diethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350542
1-(3-chlorophenyl)-N-cyclohexyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 46584097
N-cyclohexyl-1-(3-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 43053261
1-[2-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-methylamino]ethyl]pyridin-2-one
CID 126917477
1-(3-methoxyphenyl)-N-methyl-N-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 46564890
1-(4-methylphenyl)-4-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 122334353
(3R)-1-(4-ethylphenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 9388957
(3R)-N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-methyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 124939225

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N-methyl-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N-methyl-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 126917233) is N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N-methyl-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N-methyl-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N-methyl-5-oxo-1-phenylpyrrolidine-3-carboxamide is CN(C(=O)C1CC(=O)N(c2ccccc2)C1)C1CN(c2ccc(C3CC3)nn2)C1.
What is the InChIKey of N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N-methyl-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is VSEVEJSBFOXUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-25(18-13-26(14-18)20-10-9-19(23-24-20)15-7-8-15)22(29)16-11-21(28)27(12-16)17-5-3-2-4-6-17/h2-6,9-10,15-16,18H,7-8,11-14H2,1H3.
What are the key properties of N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N-methyl-5-oxo-1-phenylpyrrolidine-3-carboxamide?
N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N-methyl-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N-methyl-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 126917233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).