N-benzyl-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide

C15H17N3O2 — CID 130158705

IUPACN-benzyl-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide
SMILESCc1nn(C)c(=O)c(C(=O)NCc2ccccc2)c1C
InChIInChI=1S/C15H17N3O2/c1-10-11(2)17-18(3)15(20)13(10)14(19)16-9-12-7-5-4-6-8-12/h4-8H,9H2,1-3H3,(H,16,19)
InChIKeyUHEBLUSGTHWMQD-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.33
Rot. Bonds3

About N-benzyl-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide

N-benzyl-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide (PubChem CID 130158705) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-benzyl-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide
PubChem CID130158705
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-benzyl-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide
SMILESCc1nn(C)c(=O)c(C(=O)NCc2ccccc2)c1C
InChIInChI=1S/C15H17N3O2/c1-10-11(2)17-18(3)15(20)13(10)14(19)16-9-12-7-5-4-6-8-12/h4-8H,9H2,1-3H3,(H,16,19)
InChIKeyUHEBLUSGTHWMQD-UHFFFAOYSA-N
XLogP1.33
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]ethylsulfanyl]acetic acid
CID 120526397
N-(2,3-dihydroxy-2-methylpropyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide
CID 66169014
(2R)-2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]propanoic acid
CID 54990991
N-(3,4-dihydro-1H-isothiochromen-1-ylmethyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide
CID 127696924
2,5,6-trimethyl-3-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-4-carboxamide
CID 103874335
N-benzyl-4-(benzylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 50826708
(2R)-3-hydroxy-2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]propanoic acid
CID 80749718
N-(2-hydroxy-2-methylpentyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide
CID 103874312
1,3,5-trimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 35335541
7-amino-N-benzyl-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 23476483
5-amino-N-benzyl-1-methyltriazole-4-carboxamide
CID 1499694
N-benzyl-3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20892655

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide?
The IUPAC name of N-benzyl-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide (CID 130158705) is N-benzyl-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide.
What is the SMILES notation for N-benzyl-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide?
The canonical SMILES for N-benzyl-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide is Cc1nn(C)c(=O)c(C(=O)NCc2ccccc2)c1C.
What is the InChIKey of N-benzyl-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide?
The InChIKey is UHEBLUSGTHWMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10-11(2)17-18(3)15(20)13(10)14(19)16-9-12-7-5-4-6-8-12/h4-8H,9H2,1-3H3,(H,16,19).
What are the key properties of N-benzyl-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide?
N-benzyl-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide is sourced from PubChem (CID 130158705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).