N-propan-2-yl-3-pyridazin-3-yloxypyrrolidine-1-carboxamide

C12H18N4O2 — CID 90638477

IUPACN-propan-2-yl-3-pyridazin-3-yloxypyrrolidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC(Oc2cccnn2)C1
InChIInChI=1S/C12H18N4O2/c1-9(2)14-12(17)16-7-5-10(8-16)18-11-4-3-6-13-15-11/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,14,17)
InChIKeyYXQHPPCOYQHKFJ-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.05
Rot. Bonds3

About N-propan-2-yl-3-pyridazin-3-yloxypyrrolidine-1-carboxamide

N-propan-2-yl-3-pyridazin-3-yloxypyrrolidine-1-carboxamide (PubChem CID 90638477) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-propan-2-yl-3-pyridazin-3-yloxypyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-3-pyridazin-3-yloxypyrrolidine-1-carboxamide
PubChem CID90638477
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-propan-2-yl-3-pyridazin-3-yloxypyrrolidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC(Oc2cccnn2)C1
InChIInChI=1S/C12H18N4O2/c1-9(2)14-12(17)16-7-5-10(8-16)18-11-4-3-6-13-15-11/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,14,17)
InChIKeyYXQHPPCOYQHKFJ-UHFFFAOYSA-N
XLogP1.05
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 90638196
N-cycloheptyl-3-pyridazin-3-yloxypyrrolidine-1-carboxamide
CID 90638486
N-(2-methoxyethyl)-3-pyridazin-3-yloxypyrrolidine-1-carboxamide
CID 91627281
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
2,2,2-trifluoro-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 159511918
(2R)-2-hydroxy-2-phenyl-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethanone
CID 100622951
N-(2-fluorophenyl)-3-pyridazin-3-yloxypyrrolidine-1-carboxamide
CID 90638455
(2-methylsulfanylphenyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
CID 90638321
N-[(2S)-4-methylsulfanyl-1-oxo-1-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]butan-2-yl]acetamide
CID 100622864
1-[4-[(3R)-3-pyridazin-3-yloxypiperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 100638372
3-cyclopentyl-1-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]propan-1-one
CID 100620918

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-pyridazin-3-yloxypyrrolidine-1-carboxamide?
The IUPAC name of N-propan-2-yl-3-pyridazin-3-yloxypyrrolidine-1-carboxamide (CID 90638477) is N-propan-2-yl-3-pyridazin-3-yloxypyrrolidine-1-carboxamide.
What is the SMILES notation for N-propan-2-yl-3-pyridazin-3-yloxypyrrolidine-1-carboxamide?
The canonical SMILES for N-propan-2-yl-3-pyridazin-3-yloxypyrrolidine-1-carboxamide is CC(C)NC(=O)N1CCC(Oc2cccnn2)C1.
What is the InChIKey of N-propan-2-yl-3-pyridazin-3-yloxypyrrolidine-1-carboxamide?
The InChIKey is YXQHPPCOYQHKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-9(2)14-12(17)16-7-5-10(8-16)18-11-4-3-6-13-15-11/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,14,17).
What are the key properties of N-propan-2-yl-3-pyridazin-3-yloxypyrrolidine-1-carboxamide?
N-propan-2-yl-3-pyridazin-3-yloxypyrrolidine-1-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-pyridazin-3-yloxypyrrolidine-1-carboxamide is sourced from PubChem (CID 90638477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).