N-[2-(ethylamino)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide

C15H18N4O2 — CID 119508020

IUPACN-[2-(ethylamino)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESCCNCCNC(=O)c1ccc(=O)n(-c2ccccc2)n1
InChIInChI=1S/C15H18N4O2/c1-2-16-10-11-17-15(21)13-8-9-14(20)19(18-13)12-6-4-3-5-7-12/h3-9,16H,2,10-11H2,1H3,(H,17,21)
InChIKeyYWKRKYCUYCHGEW-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.57
Rot. Bonds6

About N-[2-(ethylamino)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide

N-[2-(ethylamino)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 119508020) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID119508020
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC NameN-[2-(ethylamino)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESCCNCCNC(=O)c1ccc(=O)n(-c2ccccc2)n1
InChIInChI=1S/C15H18N4O2/c1-2-16-10-11-17-15(21)13-8-9-14(20)19(18-13)12-6-4-3-5-7-12/h3-9,16H,2,10-11H2,1H3,(H,17,21)
InChIKeyYWKRKYCUYCHGEW-UHFFFAOYSA-N
XLogP0.57
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.57
H-Bond Donors ≤ 52
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]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide;hydrochloride
CID 119505450
N-(3-butoxypropyl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31890180
N-[(2R)-2-(ethylamino)propyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 120653747
N-(1-hydroxypropan-2-yl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 110887303
N-cyclopropyl-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31900847
N-(3-methyl-1-phenylbutyl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 55581751
6-oxo-1-phenylpyridazine-3-carboxylic acid
CID 16771713
N-[(2S)-1-methoxypropan-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31887874
N-methyl-N-(2-methylpropyl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 134059029
N,N-dibutyl-6-oxo-1-phenylpyridazine-3-carboxamide
CID 166181653
1-(4-fluorophenyl)-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-6-oxopyridazine-3-carboxamide
CID 55721576
6-oxo-1-phenyl-N-pyridin-4-ylpyridazine-3-carboxamide
CID 39954188

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide (CID 119508020) is N-[2-(ethylamino)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide is CCNCCNC(=O)c1ccc(=O)n(-c2ccccc2)n1.
What is the InChIKey of N-[2-(ethylamino)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is YWKRKYCUYCHGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-2-16-10-11-17-15(21)13-8-9-14(20)19(18-13)12-6-4-3-5-7-12/h3-9,16H,2,10-11H2,1H3,(H,17,21).
What are the key properties of N-[2-(ethylamino)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide?
N-[2-(ethylamino)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide has a molecular weight of 286.34 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 119508020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).