3-amino-N-(3-pyridazin-3-yloxyphenyl)cyclopentane-1-carboxamide;dihydrochloride

C16H20Cl2N4O2 — CID 119894501

IUPAC3-amino-N-(3-pyridazin-3-yloxyphenyl)cyclopentane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCC(C(=O)Nc2cccc(Oc3cccnn3)c2)C1
InChIInChI=1S/C16H18N4O2.2ClH/c17-12-7-6-11(9-12)16(21)19-13-3-1-4-14(10-13)22-15-5-2-8-18-20-15;;/h1-5,8,10-12H,6-7,9,17H2,(H,19,21);2*1H
InChIKeyZPOKDJVZAVCBFA-UHFFFAOYSA-N
MW371.27 g/mol
LogP3.18
Rot. Bonds4

About 3-amino-N-(3-pyridazin-3-yloxyphenyl)cyclopentane-1-carboxamide;dihydrochloride

3-amino-N-(3-pyridazin-3-yloxyphenyl)cyclopentane-1-carboxamide;dihydrochloride (PubChem CID 119894501) has the molecular formula C16H20Cl2N4O2 and a molecular weight of 371.27 g/mol. Its IUPAC name is 3-amino-N-(3-pyridazin-3-yloxyphenyl)cyclopentane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-(3-pyridazin-3-yloxyphenyl)cyclopentane-1-carboxamide;dihydrochloride
PubChem CID119894501
Molecular FormulaC16H20Cl2N4O2
Molecular Weight371.27 g/mol
Exact Mass370.10
IUPAC Name3-amino-N-(3-pyridazin-3-yloxyphenyl)cyclopentane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCC(C(=O)Nc2cccc(Oc3cccnn3)c2)C1
InChIInChI=1S/C16H18N4O2.2ClH/c17-12-7-6-11(9-12)16(21)19-13-3-1-4-14(10-13)22-15-5-2-8-18-20-15;;/h1-5,8,10-12H,6-7,9,17H2,(H,19,21);2*1H
InChIKeyZPOKDJVZAVCBFA-UHFFFAOYSA-N
XLogP3.18
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.27
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(3-pyridin-2-yloxyphenyl)cyclohexane-1-carboxamide
CID 119884838
3-amino-N-[3-(difluoromethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119707736
trans-(1R,2R)-2-phenyl-N-(3-pyridazin-3-yloxyphenyl)cyclopropane-1-carboxamide
CID 166194550
2-amino-2-(oxan-4-yl)-N-(3-pyridazin-3-yloxyphenyl)acetamide;dihydrochloride
CID 120801133
(3S)-N-(3-pyridazin-3-yloxyphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 124607438
3-amino-N-(3-phenoxyphenyl)cyclohexane-1-carboxamide
CID 119673239
3-amino-N-[3-(pyridin-3-ylmethoxy)phenyl]cyclopentane-1-carboxamide
CID 119846154
N-(3-pyridazin-3-yloxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119894510
3-amino-N-[3-[(2-methylphenyl)methoxy]phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119785191
cis-(1S,3R)-3-amino-N-(3-phenylphenyl)cyclopentane-1-carboxamide
CID 56906171
3-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119713843
3-amino-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]cyclopentane-1-carboxamide
CID 119849038

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-pyridazin-3-yloxyphenyl)cyclopentane-1-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-(3-pyridazin-3-yloxyphenyl)cyclopentane-1-carboxamide;dihydrochloride (CID 119894501) is 3-amino-N-(3-pyridazin-3-yloxyphenyl)cyclopentane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-(3-pyridazin-3-yloxyphenyl)cyclopentane-1-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-(3-pyridazin-3-yloxyphenyl)cyclopentane-1-carboxamide;dihydrochloride is Cl.Cl.NC1CCC(C(=O)Nc2cccc(Oc3cccnn3)c2)C1.
What is the InChIKey of 3-amino-N-(3-pyridazin-3-yloxyphenyl)cyclopentane-1-carboxamide;dihydrochloride?
The InChIKey is ZPOKDJVZAVCBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2.2ClH/c17-12-7-6-11(9-12)16(21)19-13-3-1-4-14(10-13)22-15-5-2-8-18-20-15;;/h1-5,8,10-12H,6-7,9,17H2,(H,19,21);2*1H.
What are the key properties of 3-amino-N-(3-pyridazin-3-yloxyphenyl)cyclopentane-1-carboxamide;dihydrochloride?
3-amino-N-(3-pyridazin-3-yloxyphenyl)cyclopentane-1-carboxamide;dihydrochloride has a molecular weight of 371.27 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-pyridazin-3-yloxyphenyl)cyclopentane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119894501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).