N-cyclododecyl-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide

C30H37N3O2 — CID 108790626

IUPACN-cyclododecyl-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
SMILESCn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)NC2CCCCCCCCCCC2)c1=O
InChIInChI=1S/C30H37N3O2/c1-33-30(35)27(29(34)31-25-21-15-7-5-3-2-4-6-8-16-22-25)26(23-17-11-9-12-18-23)28(32-33)24-19-13-10-14-20-24/h9-14,17-20,25H,2-8,15-16,21-22H2,1H3,(H,31,34)
InChIKeyBPISAHDMPIHIKZ-UHFFFAOYSA-N
MW471.65 g/mol
LogP6.52
Rot. Bonds4

About N-cyclododecyl-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide

N-cyclododecyl-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide (PubChem CID 108790626) has the molecular formula C30H37N3O2 and a molecular weight of 471.65 g/mol. Its IUPAC name is N-cyclododecyl-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-cyclododecyl-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
PubChem CID108790626
Molecular FormulaC30H37N3O2
Molecular Weight471.65 g/mol
Exact Mass471.29
IUPAC NameN-cyclododecyl-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
SMILESCn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)NC2CCCCCCCCCCC2)c1=O
InChIInChI=1S/C30H37N3O2/c1-33-30(35)27(29(34)31-25-21-15-7-5-3-2-4-6-8-16-22-25)26(23-17-11-9-12-18-23)28(32-33)24-19-13-10-14-20-24/h9-14,17-20,25H,2-8,15-16,21-22H2,1H3,(H,31,34)
InChIKeyBPISAHDMPIHIKZ-UHFFFAOYSA-N
XLogP6.52
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.65
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-oxo-5,6-diphenyl-N-[(4R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pyridazine-4-carboxamide
CID 108790601
N-(2,6-difluorophenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790637
2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108803371
3-hydroxy-2-[(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]butanoic acid
CID 108790658
2-methyl-3-oxo-N-(2-oxo-1H-pyrimidin-6-yl)-5,6-diphenylpyridazine-4-carboxamide
CID 108803336
N-cyclohexyl-1-methyl-5-phenylpyrazole-3-carboxamide
CID 110336117
N-cycloheptyl-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide
CID 110680876
N-(4-hydroxy-2-methylphenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790593
N-cycloheptyl-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 9268507
N-cyclooctyl-3-methyl-2-phenylquinoline-4-carboxamide
CID 4122728
N-cyclohexyl-2-(1-oxo-4-phenylphthalazin-2-yl)propanamide
CID 11291808
N-cyclohexyl-5,6-diphenylpyrazine-2-carboxamide
CID 10150172

Frequently Asked Questions

What is the IUPAC name of N-cyclododecyl-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide?
The IUPAC name of N-cyclododecyl-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide (CID 108790626) is N-cyclododecyl-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide.
What is the SMILES notation for N-cyclododecyl-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide?
The canonical SMILES for N-cyclododecyl-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide is Cn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)NC2CCCCCCCCCCC2)c1=O.
What is the InChIKey of N-cyclododecyl-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide?
The InChIKey is BPISAHDMPIHIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N3O2/c1-33-30(35)27(29(34)31-25-21-15-7-5-3-2-4-6-8-16-22-25)26(23-17-11-9-12-18-23)28(32-33)24-19-13-10-14-20-24/h9-14,17-20,25H,2-8,15-16,21-22H2,1H3,(H,31,34).
What are the key properties of N-cyclododecyl-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide?
N-cyclododecyl-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide has a molecular weight of 471.65 g/mol, XLogP of 6.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclododecyl-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide is sourced from PubChem (CID 108790626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).