N-(3-butoxypropyl)-6-oxo-1-phenylpyridazine-3-carboxamide

C18H23N3O3 — CID 31890180

IUPACN-(3-butoxypropyl)-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESCCCCOCCCNC(=O)c1ccc(=O)n(-c2ccccc2)n1
InChIInChI=1S/C18H23N3O3/c1-2-3-13-24-14-7-12-19-18(23)16-10-11-17(22)21(20-16)15-8-5-4-6-9-15/h4-6,8-11H,2-3,7,12-14H2,1H3,(H,19,23)
InChIKeySAYFFOOESRLXPX-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.17
Rot. Bonds9

About N-(3-butoxypropyl)-6-oxo-1-phenylpyridazine-3-carboxamide

N-(3-butoxypropyl)-6-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 31890180) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-(3-butoxypropyl)-6-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)-6-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID31890180
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-(3-butoxypropyl)-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESCCCCOCCCNC(=O)c1ccc(=O)n(-c2ccccc2)n1
InChIInChI=1S/C18H23N3O3/c1-2-3-13-24-14-7-12-19-18(23)16-10-11-17(22)21(20-16)15-8-5-4-6-9-15/h4-6,8-11H,2-3,7,12-14H2,1H3,(H,19,23)
InChIKeySAYFFOOESRLXPX-UHFFFAOYSA-N
XLogP2.17
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(ethylamino)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 119508020
N-(3-butoxypropyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108791814
N,N-dibutyl-6-oxo-1-phenylpyridazine-3-carboxamide
CID 166181653
N-(3-butoxypropyl)-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 108784989
N-[(2R)-2-(ethylamino)propyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 120653747
N-(3-butoxypropyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 27682809
N-[(2S)-1-methoxypropan-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31887874
N-cyclopropyl-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31900847
N-[4-(2-methoxyethoxy)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 55657959
N-nonyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 46549927
1-(4-fluorophenyl)-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-6-oxopyridazine-3-carboxamide
CID 55721576
N-(1-hydroxypropan-2-yl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 110887303

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-6-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of N-(3-butoxypropyl)-6-oxo-1-phenylpyridazine-3-carboxamide (CID 31890180) is N-(3-butoxypropyl)-6-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-(3-butoxypropyl)-6-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-(3-butoxypropyl)-6-oxo-1-phenylpyridazine-3-carboxamide is CCCCOCCCNC(=O)c1ccc(=O)n(-c2ccccc2)n1.
What is the InChIKey of N-(3-butoxypropyl)-6-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is SAYFFOOESRLXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-2-3-13-24-14-7-12-19-18(23)16-10-11-17(22)21(20-16)15-8-5-4-6-9-15/h4-6,8-11H,2-3,7,12-14H2,1H3,(H,19,23).
What are the key properties of N-(3-butoxypropyl)-6-oxo-1-phenylpyridazine-3-carboxamide?
N-(3-butoxypropyl)-6-oxo-1-phenylpyridazine-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.17, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-6-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 31890180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).