N-(2,5-dimethylphenyl)-N-ethyl-6-oxo-1-propylpyridazine-3-carboxamide

C18H23N3O2 — CID 52574614

IUPACN-(2,5-dimethylphenyl)-N-ethyl-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)N(CC)c2cc(C)ccc2C)ccc1=O
InChIInChI=1S/C18H23N3O2/c1-5-11-21-17(22)10-9-15(19-21)18(23)20(6-2)16-12-13(3)7-8-14(16)4/h7-10,12H,5-6,11H2,1-4H3
InChIKeyMOPRMXYHVQGNNH-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.94
Rot. Bonds5

About N-(2,5-dimethylphenyl)-N-ethyl-6-oxo-1-propylpyridazine-3-carboxamide

N-(2,5-dimethylphenyl)-N-ethyl-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 52574614) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-N-ethyl-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-N-ethyl-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID52574614
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-(2,5-dimethylphenyl)-N-ethyl-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)N(CC)c2cc(C)ccc2C)ccc1=O
InChIInChI=1S/C18H23N3O2/c1-5-11-21-17(22)10-9-15(19-21)18(23)20(6-2)16-12-13(3)7-8-14(16)4/h7-10,12H,5-6,11H2,1-4H3
InChIKeyMOPRMXYHVQGNNH-UHFFFAOYSA-N
XLogP2.94
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-6-oxo-N-phenyl-1-propylpyridazine-3-carboxamide
CID 42162108
2-[carboxymethyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]acetic acid
CID 63651920
N-[(4-methylphenyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 18105453
2-methyl-2-[methyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 62818484
[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate
CID 18197053
N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 32964794
6-methyl-2-propylpyridazin-3-one
CID 12504076
2-[cyclopropylmethyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]acetic acid
CID 43655583
N-(2,5-dimethylphenyl)-N-ethylcarbamate
CID 57353487
N-(2,5-dimethylphenyl)-N-ethyl-3,5-difluorobenzamide
CID 52574596
N-(2-hydroxy-2-methylpropyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 65109487
[1-(4-methylphenyl)-1-oxopropan-2-yl] 6-oxo-1-propylpyridazine-3-carboxylate
CID 18080825

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-N-ethyl-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-N-ethyl-6-oxo-1-propylpyridazine-3-carboxamide (CID 52574614) is N-(2,5-dimethylphenyl)-N-ethyl-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-N-ethyl-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-N-ethyl-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)N(CC)c2cc(C)ccc2C)ccc1=O.
What is the InChIKey of N-(2,5-dimethylphenyl)-N-ethyl-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is MOPRMXYHVQGNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-5-11-21-17(22)10-9-15(19-21)18(23)20(6-2)16-12-13(3)7-8-14(16)4/h7-10,12H,5-6,11H2,1-4H3.
What are the key properties of N-(2,5-dimethylphenyl)-N-ethyl-6-oxo-1-propylpyridazine-3-carboxamide?
N-(2,5-dimethylphenyl)-N-ethyl-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-N-ethyl-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 52574614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).