N-ethyl-6-oxo-N-phenyl-1-propylpyridazine-3-carboxamide

C16H19N3O2 — CID 42162108

IUPACN-ethyl-6-oxo-N-phenyl-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)N(CC)c2ccccc2)ccc1=O
InChIInChI=1S/C16H19N3O2/c1-3-12-19-15(20)11-10-14(17-19)16(21)18(4-2)13-8-6-5-7-9-13/h5-11H,3-4,12H2,1-2H3
InChIKeyYMXIZIOXJBSGHD-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.32
Rot. Bonds5

About N-ethyl-6-oxo-N-phenyl-1-propylpyridazine-3-carboxamide

N-ethyl-6-oxo-N-phenyl-1-propylpyridazine-3-carboxamide (PubChem CID 42162108) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-ethyl-6-oxo-N-phenyl-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-oxo-N-phenyl-1-propylpyridazine-3-carboxamide
PubChem CID42162108
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-ethyl-6-oxo-N-phenyl-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)N(CC)c2ccccc2)ccc1=O
InChIInChI=1S/C16H19N3O2/c1-3-12-19-15(20)11-10-14(17-19)16(21)18(4-2)13-8-6-5-7-9-13/h5-11H,3-4,12H2,1-2H3
InChIKeyYMXIZIOXJBSGHD-UHFFFAOYSA-N
XLogP2.32
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[carboxymethyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]acetic acid
CID 63651920
N-(2,5-dimethylphenyl)-N-ethyl-6-oxo-1-propylpyridazine-3-carboxamide
CID 52574614
N-benzyl-N-(2-hydroxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 110886514
2-methyl-2-[methyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 62818484
N-benzyl-1-methyl-6-oxo-N-phenylpyridazine-3-carboxamide
CID 42161824
N-cyclopentyl-6-oxo-N-(2-phenylethyl)-1-propylpyridazine-3-carboxamide
CID 52574448
[2-(N-ethylanilino)-2-oxoethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
CID 46628831
N-benzyl-N-(furan-2-ylmethyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 34907261
2-[3-[ethyl(phenyl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19623365
2-[cyclopropylmethyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]acetic acid
CID 43655583
(2R)-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 54990747
2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 43355382

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-oxo-N-phenyl-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-ethyl-6-oxo-N-phenyl-1-propylpyridazine-3-carboxamide (CID 42162108) is N-ethyl-6-oxo-N-phenyl-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-ethyl-6-oxo-N-phenyl-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-ethyl-6-oxo-N-phenyl-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)N(CC)c2ccccc2)ccc1=O.
What is the InChIKey of N-ethyl-6-oxo-N-phenyl-1-propylpyridazine-3-carboxamide?
The InChIKey is YMXIZIOXJBSGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-3-12-19-15(20)11-10-14(17-19)16(21)18(4-2)13-8-6-5-7-9-13/h5-11H,3-4,12H2,1-2H3.
What are the key properties of N-ethyl-6-oxo-N-phenyl-1-propylpyridazine-3-carboxamide?
N-ethyl-6-oxo-N-phenyl-1-propylpyridazine-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-oxo-N-phenyl-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 42162108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).