N-benzyl-1-methyl-6-oxo-N-phenylpyridazine-3-carboxamide

C19H17N3O2 — CID 42161824

IUPACN-benzyl-1-methyl-6-oxo-N-phenylpyridazine-3-carboxamide
SMILESCn1nc(C(=O)N(Cc2ccccc2)c2ccccc2)ccc1=O
InChIInChI=1S/C19H17N3O2/c1-21-18(23)13-12-17(20-21)19(24)22(16-10-6-3-7-11-16)14-15-8-4-2-5-9-15/h2-13H,14H2,1H3
InChIKeyIZJCALNDJWQFOT-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.63
Rot. Bonds4

About N-benzyl-1-methyl-6-oxo-N-phenylpyridazine-3-carboxamide

N-benzyl-1-methyl-6-oxo-N-phenylpyridazine-3-carboxamide (PubChem CID 42161824) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-benzyl-1-methyl-6-oxo-N-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-methyl-6-oxo-N-phenylpyridazine-3-carboxamide
PubChem CID42161824
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC NameN-benzyl-1-methyl-6-oxo-N-phenylpyridazine-3-carboxamide
SMILESCn1nc(C(=O)N(Cc2ccccc2)c2ccccc2)ccc1=O
InChIInChI=1S/C19H17N3O2/c1-21-18(23)13-12-17(20-21)19(24)22(16-10-6-3-7-11-16)14-15-8-4-2-5-9-15/h2-13H,14H2,1H3
InChIKeyIZJCALNDJWQFOT-UHFFFAOYSA-N
XLogP2.63
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-methyl-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 30992788
N-benzyl-1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide
CID 110682735
N-ethyl-6-oxo-N-phenyl-1-propylpyridazine-3-carboxamide
CID 42162108
[2-[benzyl(methyl)amino]-2-oxoethyl] 1-methyl-6-oxopyridazine-3-carboxylate
CID 55734635
N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 29388167
1-methyl-6-oxo-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 42161813
N-benzyl-N-phenylquinoline-2-carboxamide
CID 2449862
N-benzyl-6-oxo-N-phenyl-1H-pyrimidine-4-carboxamide
CID 137147342
N-(2,3-dihydro-1H-inden-2-yl)-1-methyl-6-oxo-N-phenylpyridazine-3-carboxamide
CID 122144147
N-benzyl-2,5-dimethyl-N-pyridin-4-ylpyrazole-3-carboxamide
CID 75449858
2-[ethyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]acetic acid
CID 54901036
N-benzyl-N-phenyl-1,3-thiazole-4-carboxamide
CID 62044821

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-methyl-6-oxo-N-phenylpyridazine-3-carboxamide?
The IUPAC name of N-benzyl-1-methyl-6-oxo-N-phenylpyridazine-3-carboxamide (CID 42161824) is N-benzyl-1-methyl-6-oxo-N-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-methyl-6-oxo-N-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-benzyl-1-methyl-6-oxo-N-phenylpyridazine-3-carboxamide is Cn1nc(C(=O)N(Cc2ccccc2)c2ccccc2)ccc1=O.
What is the InChIKey of N-benzyl-1-methyl-6-oxo-N-phenylpyridazine-3-carboxamide?
The InChIKey is IZJCALNDJWQFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-21-18(23)13-12-17(20-21)19(24)22(16-10-6-3-7-11-16)14-15-8-4-2-5-9-15/h2-13H,14H2,1H3.
What are the key properties of N-benzyl-1-methyl-6-oxo-N-phenylpyridazine-3-carboxamide?
N-benzyl-1-methyl-6-oxo-N-phenylpyridazine-3-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-methyl-6-oxo-N-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 42161824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).