[(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] N-(3-aminocyclobutyl)carbamate

C13H18ClN5O3 — CID 156563066

IUPAC[(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] N-(3-aminocyclobutyl)carbamate
SMILESNC1CC(NC(=O)O[C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)C1
InChIInChI=1S/C13H18ClN5O3/c14-11-10(5-16-18-12(11)20)19-2-1-9(6-19)22-13(21)17-8-3-7(15)4-8/h5,7-9H,1-4,6,15H2,(H,17,21)(H,18,20)/t7?,8?,9-/m1/s1
InChIKeyVGPDRVNZBDHNES-AMDVSUOASA-N
MW327.77 g/mol
LogP0.22
Rot. Bonds3

About [(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] N-(3-aminocyclobutyl)carbamate

[(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] N-(3-aminocyclobutyl)carbamate (PubChem CID 156563066) has the molecular formula C13H18ClN5O3 and a molecular weight of 327.77 g/mol. Its IUPAC name is [(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] N-(3-aminocyclobutyl)carbamate.

Molecular Properties

Compound Name[(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] N-(3-aminocyclobutyl)carbamate
PubChem CID156563066
Molecular FormulaC13H18ClN5O3
Molecular Weight327.77 g/mol
Exact Mass327.11
IUPAC Name[(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] N-(3-aminocyclobutyl)carbamate
SMILESNC1CC(NC(=O)O[C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)C1
InChIInChI=1S/C13H18ClN5O3/c14-11-10(5-16-18-12(11)20)19-2-1-9(6-19)22-13(21)17-8-3-7(15)4-8/h5,7-9H,1-4,6,15H2,(H,17,21)(H,18,20)/t7?,8?,9-/m1/s1
InChIKeyVGPDRVNZBDHNES-AMDVSUOASA-N
XLogP0.22
TPSA113.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] N-[(1R)-3,3-difluorocyclopentyl]carbamate
CID 156468560
[(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] N-(2,2,2-trifluoroethyl)carbamate
CID 156468591
[(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] N-(4,4-difluorocyclohexyl)carbamate
CID 156468633
[(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] N-(3,3-difluorocyclobutyl)carbamate
CID 156468636
[(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)-4-fluoropyrrolidin-3-yl] N-(4,4-difluorocyclohexyl)carbamate
CID 156468650
[(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] N-(3,3-difluorocyclohexyl)carbamate
CID 156468654
[(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]carbamate
CID 156468724
[(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] N-[1-(2-fluoroethyl)cyclobutyl]carbamate
CID 156468800
[(3R)-1-[5-chloro-1-(2-hydroxyethyl)-6-oxopyridazin-4-yl]pyrrolidin-3-yl] N-(3,3-difluorocyclobutyl)carbamate
CID 156468801
[(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] N-(3,3-difluoro-1-methylcyclobutyl)carbamate
CID 156468803
[(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] N-[(1R,2R)-2-fluorocyclopentyl]carbamate
CID 156468839
[(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] N-[[(1R,2R)-2-(trifluoromethyl)cyclobutyl]methyl]carbamate
CID 156468873

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] N-(3-aminocyclobutyl)carbamate?
The IUPAC name of [(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] N-(3-aminocyclobutyl)carbamate (CID 156563066) is [(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] N-(3-aminocyclobutyl)carbamate.
What is the SMILES notation for [(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] N-(3-aminocyclobutyl)carbamate?
The canonical SMILES for [(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] N-(3-aminocyclobutyl)carbamate is NC1CC(NC(=O)O[C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)C1.
What is the InChIKey of [(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] N-(3-aminocyclobutyl)carbamate?
The InChIKey is VGPDRVNZBDHNES-AMDVSUOASA-N. The full InChI is InChI=1S/C13H18ClN5O3/c14-11-10(5-16-18-12(11)20)19-2-1-9(6-19)22-13(21)17-8-3-7(15)4-8/h5,7-9H,1-4,6,15H2,(H,17,21)(H,18,20)/t7?,8?,9-/m1/s1.
What are the key properties of [(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] N-(3-aminocyclobutyl)carbamate?
[(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] N-(3-aminocyclobutyl)carbamate has a molecular weight of 327.77 g/mol, XLogP of 0.22, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] N-(3-aminocyclobutyl)carbamate is sourced from PubChem (CID 156563066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).