6-methyl-4-oxo-1-phenyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]pyridazine-3-carboxamide

C23H25N3O3 — CID 46470785

IUPAC6-methyl-4-oxo-1-phenyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NC(C)c2cccc(OC(C)C)c2)nn1-c1ccccc1
InChIInChI=1S/C23H25N3O3/c1-15(2)29-20-12-8-9-18(14-20)17(4)24-23(28)22-21(27)13-16(3)26(25-22)19-10-6-5-7-11-19/h5-15,17H,1-4H3,(H,24,28)
InChIKeyWRWKHYNFKYSYBJ-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.82
Rot. Bonds6

About 6-methyl-4-oxo-1-phenyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]pyridazine-3-carboxamide

6-methyl-4-oxo-1-phenyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]pyridazine-3-carboxamide (PubChem CID 46470785) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 6-methyl-4-oxo-1-phenyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-1-phenyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]pyridazine-3-carboxamide
PubChem CID46470785
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name6-methyl-4-oxo-1-phenyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NC(C)c2cccc(OC(C)C)c2)nn1-c1ccccc1
InChIInChI=1S/C23H25N3O3/c1-15(2)29-20-12-8-9-18(14-20)17(4)24-23(28)22-21(27)13-16(3)26(25-22)19-10-6-5-7-11-19/h5-15,17H,1-4H3,(H,24,28)
InChIKeyWRWKHYNFKYSYBJ-UHFFFAOYSA-N
XLogP3.82
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 18275042
N-[(2R)-4-methoxybutan-2-yl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 52843256
N-(1-methoxypropan-2-yl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 46522145
N-(3-methoxyphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 17399746
N-[1-(2,5-difluorophenyl)ethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 46591208
4-oxo-3-propan-2-yl-N-[1-(3-propan-2-yloxyphenyl)ethyl]phthalazine-1-carboxamide
CID 46470773
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 55428779
6-methyl-4-oxo-1-phenyl-N-[(3-phenylmethoxyphenyl)methyl]pyridazine-3-carboxamide
CID 55846918
1-(4-chlorophenyl)-6-methyl-4-oxo-N-(1-pyridin-2-ylethyl)pyridazine-3-carboxamide
CID 43020246
N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carbohydrazide
CID 9088869
1-(2-methoxyphenyl)-5-methyl-N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]triazole-4-carboxamide
CID 51950141
6-methyl-4-oxo-1-(4-phenoxyphenyl)pyridazine-3-carboxylic acid
CID 94962369

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-1-phenyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]pyridazine-3-carboxamide?
The IUPAC name of 6-methyl-4-oxo-1-phenyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]pyridazine-3-carboxamide (CID 46470785) is 6-methyl-4-oxo-1-phenyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-1-phenyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-1-phenyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]pyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)NC(C)c2cccc(OC(C)C)c2)nn1-c1ccccc1.
What is the InChIKey of 6-methyl-4-oxo-1-phenyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]pyridazine-3-carboxamide?
The InChIKey is WRWKHYNFKYSYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-15(2)29-20-12-8-9-18(14-20)17(4)24-23(28)22-21(27)13-16(3)26(25-22)19-10-6-5-7-11-19/h5-15,17H,1-4H3,(H,24,28).
What are the key properties of 6-methyl-4-oxo-1-phenyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]pyridazine-3-carboxamide?
6-methyl-4-oxo-1-phenyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]pyridazine-3-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-1-phenyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]pyridazine-3-carboxamide is sourced from PubChem (CID 46470785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).