N-[3-(ethylcarbamoyl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide

C15H16N4O3 — CID 51150164

IUPACN-[3-(ethylcarbamoyl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCCNC(=O)c1cccc(NC(=O)c2ccc(=O)n(C)n2)c1
InChIInChI=1S/C15H16N4O3/c1-3-16-14(21)10-5-4-6-11(9-10)17-15(22)12-7-8-13(20)19(2)18-12/h4-9H,3H2,1-2H3,(H,16,21)(H,17,22)
InChIKeyDWGNJHAKEUEFBB-UHFFFAOYSA-N
MW300.32 g/mol
LogP0.78
Rot. Bonds4

About N-[3-(ethylcarbamoyl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide

N-[3-(ethylcarbamoyl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 51150164) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is N-[3-(ethylcarbamoyl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(ethylcarbamoyl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID51150164
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC NameN-[3-(ethylcarbamoyl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCCNC(=O)c1cccc(NC(=O)c2ccc(=O)n(C)n2)c1
InChIInChI=1S/C15H16N4O3/c1-3-16-14(21)10-5-4-6-11(9-10)17-15(22)12-7-8-13(20)19(2)18-12/h4-9H,3H2,1-2H3,(H,16,21)(H,17,22)
InChIKeyDWGNJHAKEUEFBB-UHFFFAOYSA-N
XLogP0.78
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(ethylcarbamoyl)phenyl]-2-phenyltriazole-4-carboxamide
CID 46421897
3-acetamido-N-ethylbenzamide
CID 17230670
2-[[3-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]benzoyl]amino]acetic acid
CID 71915540
3,5-dichloro-N-[3-(ethylcarbamoyl)phenyl]-4-methoxybenzamide
CID 51217682
N-[3-(ethylcarbamoyl)phenyl]-6-methoxyquinoline-2-carboxamide
CID 17410272
2-chloro-5-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]benzoic acid
CID 60749367
N-[3-(ethylcarbamoyl)phenyl]-2H-benzotriazole-5-carboxamide
CID 167951994
1-N-ethyl-3-N-pyridin-4-ylbenzene-1,3-dicarboxamide
CID 70972162
4-bromo-N-[3-(ethylcarbamoyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 60698428
N-(4-ethyl-3-nitrophenyl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 34653227
N-ethyl-3-[[3-(methanesulfonamido)benzoyl]amino]benzamide
CID 18151214
N-(4-amino-3,5-dichlorophenyl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 47111526

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylcarbamoyl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[3-(ethylcarbamoyl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 51150164) is N-[3-(ethylcarbamoyl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[3-(ethylcarbamoyl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[3-(ethylcarbamoyl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide is CCNC(=O)c1cccc(NC(=O)c2ccc(=O)n(C)n2)c1.
What is the InChIKey of N-[3-(ethylcarbamoyl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is DWGNJHAKEUEFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-3-16-14(21)10-5-4-6-11(9-10)17-15(22)12-7-8-13(20)19(2)18-12/h4-9H,3H2,1-2H3,(H,16,21)(H,17,22).
What are the key properties of N-[3-(ethylcarbamoyl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[3-(ethylcarbamoyl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 300.32 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylcarbamoyl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 51150164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).