N-benzyl-6-[3-(2-chlorobenzoyl)-2-oxo-1,3-diazinan-1-yl]pyridazine-3-carboxamide

C23H20ClN5O3 — CID 69397044

IUPACN-benzyl-6-[3-(2-chlorobenzoyl)-2-oxo-1,3-diazinan-1-yl]pyridazine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc(N2CCCN(C(=O)c3ccccc3Cl)C2=O)nn1
InChIInChI=1S/C23H20ClN5O3/c24-18-10-5-4-9-17(18)22(31)29-14-6-13-28(23(29)32)20-12-11-19(26-27-20)21(30)25-15-16-7-2-1-3-8-16/h1-5,7-12H,6,13-15H2,(H,25,30)
InChIKeyDFTQGOZRFWQBNN-UHFFFAOYSA-N
MW449.90 g/mol
LogP3.53
Rot. Bonds5

About N-benzyl-6-[3-(2-chlorobenzoyl)-2-oxo-1,3-diazinan-1-yl]pyridazine-3-carboxamide

N-benzyl-6-[3-(2-chlorobenzoyl)-2-oxo-1,3-diazinan-1-yl]pyridazine-3-carboxamide (PubChem CID 69397044) has the molecular formula C23H20ClN5O3 and a molecular weight of 449.90 g/mol. Its IUPAC name is N-benzyl-6-[3-(2-chlorobenzoyl)-2-oxo-1,3-diazinan-1-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-[3-(2-chlorobenzoyl)-2-oxo-1,3-diazinan-1-yl]pyridazine-3-carboxamide
PubChem CID69397044
Molecular FormulaC23H20ClN5O3
Molecular Weight449.90 g/mol
Exact Mass449.13
IUPAC NameN-benzyl-6-[3-(2-chlorobenzoyl)-2-oxo-1,3-diazinan-1-yl]pyridazine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc(N2CCCN(C(=O)c3ccccc3Cl)C2=O)nn1
InChIInChI=1S/C23H20ClN5O3/c24-18-10-5-4-9-17(18)22(31)29-14-6-13-28(23(29)32)20-12-11-19(26-27-20)21(30)25-15-16-7-2-1-3-8-16/h1-5,7-12H,6,13-15H2,(H,25,30)
InChIKeyDFTQGOZRFWQBNN-UHFFFAOYSA-N
XLogP3.53
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.90
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-benzyl-6-[3-(2-chlorobenzoyl)-2-oxo-1,3-diazinan-1-yl]pyridazine-3-carboxamide with MolForge

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Related Compounds

6-[3-(2-nitrobenzoyl)-2-oxo-1,3-diazinan-1-yl]-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 91588032
6-(4-acetylpiperazin-1-yl)-N-benzylpyridazine-3-carboxamide
CID 109117077
N-benzyl-6-(2,6-dichloroanilino)pyridazine-3-carboxamide
CID 109117975
6-(3,4-dihydro-2H-quinolin-1-yl)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109121417
N-benzyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109117891
N-benzyl-6-[3-(2-chlorobenzoyl)-1,3-diazinan-1-yl]pyridine-3-carboxamide
CID 69399658
6-piperidin-1-yl-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109112480
N-benzyl-6-(3-chloro-4-methylanilino)pyridazine-3-carboxamide
CID 109117925
6-(3,4-dihydro-2H-quinolin-1-yl)-N-[(3-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118401
N-[(2-chlorophenyl)methyl]-6-morpholin-4-ylpyridazine-3-carboxamide
CID 95986830
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-6-piperidin-1-ylpyridazine-3-carboxamide
CID 121028016
N-[(4-fluorophenyl)methyl]-6-[3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide
CID 143445194

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-[3-(2-chlorobenzoyl)-2-oxo-1,3-diazinan-1-yl]pyridazine-3-carboxamide?
The IUPAC name of N-benzyl-6-[3-(2-chlorobenzoyl)-2-oxo-1,3-diazinan-1-yl]pyridazine-3-carboxamide (CID 69397044) is N-benzyl-6-[3-(2-chlorobenzoyl)-2-oxo-1,3-diazinan-1-yl]pyridazine-3-carboxamide.
What is the SMILES notation for N-benzyl-6-[3-(2-chlorobenzoyl)-2-oxo-1,3-diazinan-1-yl]pyridazine-3-carboxamide?
The canonical SMILES for N-benzyl-6-[3-(2-chlorobenzoyl)-2-oxo-1,3-diazinan-1-yl]pyridazine-3-carboxamide is O=C(NCc1ccccc1)c1ccc(N2CCCN(C(=O)c3ccccc3Cl)C2=O)nn1.
What is the InChIKey of N-benzyl-6-[3-(2-chlorobenzoyl)-2-oxo-1,3-diazinan-1-yl]pyridazine-3-carboxamide?
The InChIKey is DFTQGOZRFWQBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O3/c24-18-10-5-4-9-17(18)22(31)29-14-6-13-28(23(29)32)20-12-11-19(26-27-20)21(30)25-15-16-7-2-1-3-8-16/h1-5,7-12H,6,13-15H2,(H,25,30).
What are the key properties of N-benzyl-6-[3-(2-chlorobenzoyl)-2-oxo-1,3-diazinan-1-yl]pyridazine-3-carboxamide?
N-benzyl-6-[3-(2-chlorobenzoyl)-2-oxo-1,3-diazinan-1-yl]pyridazine-3-carboxamide has a molecular weight of 449.90 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-[3-(2-chlorobenzoyl)-2-oxo-1,3-diazinan-1-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 69397044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).