N-[3-[benzyl(methyl)amino]propyl]-6-oxo-1H-pyridazine-3-carboxamide

C16H20N4O2 — CID 30541088

IUPACN-[3-[benzyl(methyl)amino]propyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCN(CCCNC(=O)c1ccc(=O)[nH]n1)Cc1ccccc1
InChIInChI=1S/C16H20N4O2/c1-20(12-13-6-3-2-4-7-13)11-5-10-17-16(22)14-8-9-15(21)19-18-14/h2-4,6-9H,5,10-12H2,1H3,(H,17,22)(H,19,21)
InChIKeyFIVCFQMGCREQLT-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.02
Rot. Bonds7

About N-[3-[benzyl(methyl)amino]propyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[3-[benzyl(methyl)amino]propyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 30541088) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[3-[benzyl(methyl)amino]propyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[benzyl(methyl)amino]propyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID30541088
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-[3-[benzyl(methyl)amino]propyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCN(CCCNC(=O)c1ccc(=O)[nH]n1)Cc1ccccc1
InChIInChI=1S/C16H20N4O2/c1-20(12-13-6-3-2-4-7-13)11-5-10-17-16(22)14-8-9-15(21)19-18-14/h2-4,6-9H,5,10-12H2,1H3,(H,17,22)(H,19,21)
InChIKeyFIVCFQMGCREQLT-UHFFFAOYSA-N
XLogP1.02
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-oxo-N-[2-[(2-phenylacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide
CID 108539979
N-[3-[benzyl(methyl)amino]propyl]-1H-indazole-3-carboxamide
CID 41277760
11-[(6-oxo-1H-pyridazine-3-carbonyl)amino]undecanoic acid
CID 108793495
N-[3-[benzyl(methyl)amino]propyl]-2-fluorobenzamide
CID 110444087
N-[3-[3-[benzyl(methyl)amino]propyl-methylamino]propyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 8991000
4-N-[3-[benzyl(methyl)amino]propyl]benzene-1,4-dicarboxamide
CID 41306684
6-oxo-N-(3-pyrrol-1-ylpropyl)-1H-pyridazine-3-carboxamide
CID 90500511
N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]benzamide
CID 41306011
phenyl N-[2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]ethyl]carbamate
CID 108573584
2-(aminomethyl)-N-[3-[benzyl(methyl)amino]propyl]-1,3-thiazole-4-carboxamide
CID 119835673
N-[(2R)-2-(diethylamino)-3-phenylpropyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 30902992
6-oxo-N-[(4-phenylphenyl)methyl]-1H-pyridazine-3-carboxamide
CID 110793755

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 30541088) is N-[3-[benzyl(methyl)amino]propyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[3-[benzyl(methyl)amino]propyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[3-[benzyl(methyl)amino]propyl]-6-oxo-1H-pyridazine-3-carboxamide is CN(CCCNC(=O)c1ccc(=O)[nH]n1)Cc1ccccc1.
What is the InChIKey of N-[3-[benzyl(methyl)amino]propyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is FIVCFQMGCREQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-20(12-13-6-3-2-4-7-13)11-5-10-17-16(22)14-8-9-15(21)19-18-14/h2-4,6-9H,5,10-12H2,1H3,(H,17,22)(H,19,21).
What are the key properties of N-[3-[benzyl(methyl)amino]propyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[3-[benzyl(methyl)amino]propyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(methyl)amino]propyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 30541088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).