N-cycloheptyl-3-pyridazin-3-yloxypyrrolidine-1-carboxamide

C16H24N4O2 — CID 90638486

IUPACN-cycloheptyl-3-pyridazin-3-yloxypyrrolidine-1-carboxamide
SMILESO=C(NC1CCCCCC1)N1CCC(Oc2cccnn2)C1
InChIInChI=1S/C16H24N4O2/c21-16(18-13-6-3-1-2-4-7-13)20-11-9-14(12-20)22-15-8-5-10-17-19-15/h5,8,10,13-14H,1-4,6-7,9,11-12H2,(H,18,21)
InChIKeyJKKWZUHANZKRRH-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.36
Rot. Bonds3

About N-cycloheptyl-3-pyridazin-3-yloxypyrrolidine-1-carboxamide

N-cycloheptyl-3-pyridazin-3-yloxypyrrolidine-1-carboxamide (PubChem CID 90638486) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-cycloheptyl-3-pyridazin-3-yloxypyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-3-pyridazin-3-yloxypyrrolidine-1-carboxamide
PubChem CID90638486
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN-cycloheptyl-3-pyridazin-3-yloxypyrrolidine-1-carboxamide
SMILESO=C(NC1CCCCCC1)N1CCC(Oc2cccnn2)C1
InChIInChI=1S/C16H24N4O2/c21-16(18-13-6-3-1-2-4-7-13)20-11-9-14(12-20)22-15-8-5-10-17-19-15/h5,8,10,13-14H,1-4,6-7,9,11-12H2,(H,18,21)
InChIKeyJKKWZUHANZKRRH-UHFFFAOYSA-N
XLogP2.36
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propan-2-yl-3-pyridazin-3-yloxypyrrolidine-1-carboxamide
CID 90638477
1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 90638196
N-cyclopentyl-3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 90638897
3-cyclopentyl-1-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]propan-1-one
CID 100620918
2,2,2-trifluoro-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 159511918
N-(2-methoxyethyl)-3-pyridazin-3-yloxypyrrolidine-1-carboxamide
CID 91627281
N-(2-fluorophenyl)-3-pyridazin-3-yloxypyrrolidine-1-carboxamide
CID 90638455
4-chloro-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)butan-1-one
CID 90638218
tert-butyl (3R)-3-pyridazin-3-yloxypyrrolidine-1-carboxylate
CID 129411647
(4-methylpiperazin-1-yl)-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone
CID 100624368
3-pyridazin-3-yloxy-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 90638470
N-cyclopentyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxamide
CID 53185867

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-pyridazin-3-yloxypyrrolidine-1-carboxamide?
The IUPAC name of N-cycloheptyl-3-pyridazin-3-yloxypyrrolidine-1-carboxamide (CID 90638486) is N-cycloheptyl-3-pyridazin-3-yloxypyrrolidine-1-carboxamide.
What is the SMILES notation for N-cycloheptyl-3-pyridazin-3-yloxypyrrolidine-1-carboxamide?
The canonical SMILES for N-cycloheptyl-3-pyridazin-3-yloxypyrrolidine-1-carboxamide is O=C(NC1CCCCCC1)N1CCC(Oc2cccnn2)C1.
What is the InChIKey of N-cycloheptyl-3-pyridazin-3-yloxypyrrolidine-1-carboxamide?
The InChIKey is JKKWZUHANZKRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c21-16(18-13-6-3-1-2-4-7-13)20-11-9-14(12-20)22-15-8-5-10-17-19-15/h5,8,10,13-14H,1-4,6-7,9,11-12H2,(H,18,21).
What are the key properties of N-cycloheptyl-3-pyridazin-3-yloxypyrrolidine-1-carboxamide?
N-cycloheptyl-3-pyridazin-3-yloxypyrrolidine-1-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-pyridazin-3-yloxypyrrolidine-1-carboxamide is sourced from PubChem (CID 90638486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).