N-[(4-cyclopentyloxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C17H21N3O3 — CID 110793798

IUPACN-[(4-cyclopentyloxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)NCc2ccc(OC3CCCC3)cc2)=NN1
InChIInChI=1S/C17H21N3O3/c21-16-10-9-15(19-20-16)17(22)18-11-12-5-7-14(8-6-12)23-13-3-1-2-4-13/h5-8,13H,1-4,9-11H2,(H,18,22)(H,20,21)
InChIKeyIWIXGHYUAOCCEI-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.89
Rot. Bonds5

About N-[(4-cyclopentyloxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-[(4-cyclopentyloxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 110793798) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[(4-cyclopentyloxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-cyclopentyloxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID110793798
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-[(4-cyclopentyloxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)NCc2ccc(OC3CCCC3)cc2)=NN1
InChIInChI=1S/C17H21N3O3/c21-16-10-9-15(19-20-16)17(22)18-11-12-5-7-14(8-6-12)23-13-3-1-2-4-13/h5-8,13H,1-4,9-11H2,(H,18,22)(H,20,21)
InChIKeyIWIXGHYUAOCCEI-UHFFFAOYSA-N
XLogP1.89
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 3291050
6-oxo-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110793378
2-amino-N-[(4-cyclopentyloxyphenyl)methyl]acetamide
CID 96676286
N-(2-cyclopentylethyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60734317
N-(2-chloroprop-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 115636652
N-[(4-cyclohexyloxyphenyl)methyl]piperidine-4-carboxamide
CID 119312792
3-amino-N-[(4-cyclohexyloxyphenyl)methyl]propanamide
CID 119312788
N-[(4-cyclopentyloxyphenyl)methyl]cyclopropanamine
CID 39248013
N-[(4-cyclopentyloxyphenyl)methyl]cyclopentanamine
CID 39360486
N-[(4-cyclohexyloxyphenyl)methyl]-3,5-dinitrobenzamide
CID 60615000
6-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43397681
N-[(2-fluorophenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 8870756

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopentyloxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(4-cyclopentyloxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 110793798) is N-[(4-cyclopentyloxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(4-cyclopentyloxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(4-cyclopentyloxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is O=C1CCC(C(=O)NCc2ccc(OC3CCCC3)cc2)=NN1.
What is the InChIKey of N-[(4-cyclopentyloxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is IWIXGHYUAOCCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c21-16-10-9-15(19-20-16)17(22)18-11-12-5-7-14(8-6-12)23-13-3-1-2-4-13/h5-8,13H,1-4,9-11H2,(H,18,22)(H,20,21).
What are the key properties of N-[(4-cyclopentyloxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-[(4-cyclopentyloxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopentyloxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 110793798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).