4-methyl-N-[2-methyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-oxo-6-pentan-2-ylpyran-3-carboxamide

C23H25N3O4 — CID 170505762

IUPAC4-methyl-N-[2-methyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-oxo-6-pentan-2-ylpyran-3-carboxamide
SMILESCCCC(C)c1cc(C)c(C(=O)Nc2cc(-c3ccc(=O)[nH]n3)ccc2C)c(=O)o1
InChIInChI=1S/C23H25N3O4/c1-5-6-14(3)19-11-15(4)21(23(29)30-19)22(28)24-18-12-16(8-7-13(18)2)17-9-10-20(27)26-25-17/h7-12,14H,5-6H2,1-4H3,(H,24,28)(H,26,27)
InChIKeyBMCFBUNJUXERKW-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.16
Rot. Bonds6

About 4-methyl-N-[2-methyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-oxo-6-pentan-2-ylpyran-3-carboxamide

4-methyl-N-[2-methyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-oxo-6-pentan-2-ylpyran-3-carboxamide (PubChem CID 170505762) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 4-methyl-N-[2-methyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-oxo-6-pentan-2-ylpyran-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-methyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-oxo-6-pentan-2-ylpyran-3-carboxamide
PubChem CID170505762
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name4-methyl-N-[2-methyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-oxo-6-pentan-2-ylpyran-3-carboxamide
SMILESCCCC(C)c1cc(C)c(C(=O)Nc2cc(-c3ccc(=O)[nH]n3)ccc2C)c(=O)o1
InChIInChI=1S/C23H25N3O4/c1-5-6-14(3)19-11-15(4)21(23(29)30-19)22(28)24-18-12-16(8-7-13(18)2)17-9-10-20(27)26-25-17/h7-12,14H,5-6H2,1-4H3,(H,24,28)(H,26,27)
InChIKeyBMCFBUNJUXERKW-UHFFFAOYSA-N
XLogP4.16
TPSA105.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methyl-N-[2-methyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-oxo-6-pentan-2-ylpyran-3-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

N-(5-carbamoyl-2-fluorophenyl)-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide
CID 170507977
3-(3-fluoroazetidine-1-carbonyl)-4-methyl-6-pentan-2-ylpyran-2-one
CID 170503893
4-methyl-2-oxo-6-pentan-2-yl-N-(piperidin-4-ylmethyl)pyran-3-carboxamide;hydrochloride
CID 171713320
3-[3-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-methylphenyl]-1H-pyridazin-6-one
CID 168582967
N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide
CID 170508082
N-(5-fluoro-2-methylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103600396
methyl 2-[4-(4-methyl-2-oxo-6-pentan-2-ylpyran-3-carbonyl)piperazin-1-yl]acetate
CID 170505504
N-(2,5-dimethylphenyl)-2-ethyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 53004371
8-methoxy-N-[2-methyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 131889928
4-methyl-6-pentan-2-yl-3-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]pyran-2-one
CID 170511312
3-methoxy-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]propanamide
CID 70515718
2-methoxy-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 70517834

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-methyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-oxo-6-pentan-2-ylpyran-3-carboxamide?
The IUPAC name of 4-methyl-N-[2-methyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-oxo-6-pentan-2-ylpyran-3-carboxamide (CID 170505762) is 4-methyl-N-[2-methyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-oxo-6-pentan-2-ylpyran-3-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-methyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-oxo-6-pentan-2-ylpyran-3-carboxamide?
The canonical SMILES for 4-methyl-N-[2-methyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-oxo-6-pentan-2-ylpyran-3-carboxamide is CCCC(C)c1cc(C)c(C(=O)Nc2cc(-c3ccc(=O)[nH]n3)ccc2C)c(=O)o1.
What is the InChIKey of 4-methyl-N-[2-methyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-oxo-6-pentan-2-ylpyran-3-carboxamide?
The InChIKey is BMCFBUNJUXERKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-5-6-14(3)19-11-15(4)21(23(29)30-19)22(28)24-18-12-16(8-7-13(18)2)17-9-10-20(27)26-25-17/h7-12,14H,5-6H2,1-4H3,(H,24,28)(H,26,27).
What are the key properties of 4-methyl-N-[2-methyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-oxo-6-pentan-2-ylpyran-3-carboxamide?
4-methyl-N-[2-methyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-oxo-6-pentan-2-ylpyran-3-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-methyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-oxo-6-pentan-2-ylpyran-3-carboxamide is sourced from PubChem (CID 170505762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).