6-methyl-1-(2-nitrophenyl)-4-oxo-N-propylpyridazine-3-carboxamide

C15H16N4O4 — CID 27256280

IUPAC6-methyl-1-(2-nitrophenyl)-4-oxo-N-propylpyridazine-3-carboxamide
SMILESCCCNC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O
InChIInChI=1S/C15H16N4O4/c1-3-8-16-15(21)14-13(20)9-10(2)18(17-14)11-6-4-5-7-12(11)19(22)23/h4-7,9H,3,8H2,1-2H3,(H,16,21)
InChIKeyNUKZORICHXNGKT-UHFFFAOYSA-N
MW316.32 g/mol
LogP1.59
Rot. Bonds5

About 6-methyl-1-(2-nitrophenyl)-4-oxo-N-propylpyridazine-3-carboxamide

6-methyl-1-(2-nitrophenyl)-4-oxo-N-propylpyridazine-3-carboxamide (PubChem CID 27256280) has the molecular formula C15H16N4O4 and a molecular weight of 316.32 g/mol. Its IUPAC name is 6-methyl-1-(2-nitrophenyl)-4-oxo-N-propylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-1-(2-nitrophenyl)-4-oxo-N-propylpyridazine-3-carboxamide
PubChem CID27256280
Molecular FormulaC15H16N4O4
Molecular Weight316.32 g/mol
Exact Mass316.12
IUPAC Name6-methyl-1-(2-nitrophenyl)-4-oxo-N-propylpyridazine-3-carboxamide
SMILESCCCNC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O
InChIInChI=1S/C15H16N4O4/c1-3-8-16-15(21)14-13(20)9-10(2)18(17-14)11-6-4-5-7-12(11)19(22)23/h4-7,9H,3,8H2,1-2H3,(H,16,21)
InChIKeyNUKZORICHXNGKT-UHFFFAOYSA-N
XLogP1.59
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-methyl-1-(2-nitrophenyl)-4-oxo-N-(2-thiophen-2-ylethyl)pyridazine-3-carboxamide
CID 27770339
6-methyl-1-(2-nitrophenyl)-4-oxo-N-(3-pyrazol-1-ylpropyl)pyridazine-3-carboxamide
CID 55600147
N-[3-(cyclopropylmethoxy)propyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 51239867
6-methyl-N-[2-(methylamino)propyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide;hydrochloride
CID 120831378
6-methyl-1-(2-nitrophenyl)-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyridazine-3-carboxamide
CID 25493933
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 8533427
N-(4-ethoxyphenyl)-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 7678289
N-(1-aminohexan-2-yl)-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide;hydrochloride
CID 119665456
N-[4-(dimethylcarbamoyl)phenyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 34546766
N-(2,3-difluorophenyl)-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 60596494
N-(4-aminocyclohexyl)-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 119475112
N-butyl-N-(2-hydroxyethyl)-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 78855799

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(2-nitrophenyl)-4-oxo-N-propylpyridazine-3-carboxamide?
The IUPAC name of 6-methyl-1-(2-nitrophenyl)-4-oxo-N-propylpyridazine-3-carboxamide (CID 27256280) is 6-methyl-1-(2-nitrophenyl)-4-oxo-N-propylpyridazine-3-carboxamide.
What is the SMILES notation for 6-methyl-1-(2-nitrophenyl)-4-oxo-N-propylpyridazine-3-carboxamide?
The canonical SMILES for 6-methyl-1-(2-nitrophenyl)-4-oxo-N-propylpyridazine-3-carboxamide is CCCNC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O.
What is the InChIKey of 6-methyl-1-(2-nitrophenyl)-4-oxo-N-propylpyridazine-3-carboxamide?
The InChIKey is NUKZORICHXNGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O4/c1-3-8-16-15(21)14-13(20)9-10(2)18(17-14)11-6-4-5-7-12(11)19(22)23/h4-7,9H,3,8H2,1-2H3,(H,16,21).
What are the key properties of 6-methyl-1-(2-nitrophenyl)-4-oxo-N-propylpyridazine-3-carboxamide?
6-methyl-1-(2-nitrophenyl)-4-oxo-N-propylpyridazine-3-carboxamide has a molecular weight of 316.32 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(2-nitrophenyl)-4-oxo-N-propylpyridazine-3-carboxamide is sourced from PubChem (CID 27256280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).