6-methyl-N-[2-(methylamino)propyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide;hydrochloride

C16H20ClN5O4 — CID 120831378

IUPAC6-methyl-N-[2-(methylamino)propyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide;hydrochloride
SMILESCNC(C)CNC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O.Cl
InChIInChI=1S/C16H19N5O4.ClH/c1-10(17-3)9-18-16(23)15-14(22)8-11(2)20(19-15)12-6-4-5-7-13(12)21(24)25;/h4-8,10,17H,9H2,1-3H3,(H,18,23);1H
InChIKeyYRNUHMJJHJBJSJ-UHFFFAOYSA-N
MW381.82 g/mol
LogP1.21
Rot. Bonds6

About 6-methyl-N-[2-(methylamino)propyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide;hydrochloride

6-methyl-N-[2-(methylamino)propyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide;hydrochloride (PubChem CID 120831378) has the molecular formula C16H20ClN5O4 and a molecular weight of 381.82 g/mol. Its IUPAC name is 6-methyl-N-[2-(methylamino)propyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-methyl-N-[2-(methylamino)propyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide;hydrochloride
PubChem CID120831378
Molecular FormulaC16H20ClN5O4
Molecular Weight381.82 g/mol
Exact Mass381.12
IUPAC Name6-methyl-N-[2-(methylamino)propyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide;hydrochloride
SMILESCNC(C)CNC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O.Cl
InChIInChI=1S/C16H19N5O4.ClH/c1-10(17-3)9-18-16(23)15-14(22)8-11(2)20(19-15)12-6-4-5-7-13(12)21(24)25;/h4-8,10,17H,9H2,1-3H3,(H,18,23);1H
InChIKeyYRNUHMJJHJBJSJ-UHFFFAOYSA-N
XLogP1.21
TPSA119.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-propylpyridazine-3-carboxamide
CID 27256280
1-(2-fluorophenyl)-6-methyl-N-[2-(methylamino)propyl]-4-oxopyridazine-3-carboxamide
CID 120827965
6-methyl-N-[3-(2-methylpropanoylamino)phenyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 55609823
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-[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
6-methyl-1-(2-nitrophenyl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide
CID 27447504
N-[1-(3,4-dichlorophenyl)ethyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 55372886
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
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

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[2-(methylamino)propyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide;hydrochloride?
The IUPAC name of 6-methyl-N-[2-(methylamino)propyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide;hydrochloride (CID 120831378) is 6-methyl-N-[2-(methylamino)propyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide;hydrochloride.
What is the SMILES notation for 6-methyl-N-[2-(methylamino)propyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide;hydrochloride?
The canonical SMILES for 6-methyl-N-[2-(methylamino)propyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide;hydrochloride is CNC(C)CNC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O.Cl.
What is the InChIKey of 6-methyl-N-[2-(methylamino)propyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide;hydrochloride?
The InChIKey is YRNUHMJJHJBJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O4.ClH/c1-10(17-3)9-18-16(23)15-14(22)8-11(2)20(19-15)12-6-4-5-7-13(12)21(24)25;/h4-8,10,17H,9H2,1-3H3,(H,18,23);1H.
What are the key properties of 6-methyl-N-[2-(methylamino)propyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide;hydrochloride?
6-methyl-N-[2-(methylamino)propyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide;hydrochloride has a molecular weight of 381.82 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[2-(methylamino)propyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120831378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).