6-methyl-4-oxo-N-[4-(oxolan-2-yl)butan-2-yl]-1-phenylpyridazine-3-carboxamide

C20H25N3O3 — CID 51131195

IUPAC6-methyl-4-oxo-N-[4-(oxolan-2-yl)butan-2-yl]-1-phenylpyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NC(C)CCC2CCCO2)nn1-c1ccccc1
InChIInChI=1S/C20H25N3O3/c1-14(10-11-17-9-6-12-26-17)21-20(25)19-18(24)13-15(2)23(22-19)16-7-4-3-5-8-16/h3-5,7-8,13-14,17H,6,9-12H2,1-2H3,(H,21,25)
InChIKeyMPJBCBAFJCKWMA-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.62
Rot. Bonds6

About 6-methyl-4-oxo-N-[4-(oxolan-2-yl)butan-2-yl]-1-phenylpyridazine-3-carboxamide

6-methyl-4-oxo-N-[4-(oxolan-2-yl)butan-2-yl]-1-phenylpyridazine-3-carboxamide (PubChem CID 51131195) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 6-methyl-4-oxo-N-[4-(oxolan-2-yl)butan-2-yl]-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-N-[4-(oxolan-2-yl)butan-2-yl]-1-phenylpyridazine-3-carboxamide
PubChem CID51131195
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name6-methyl-4-oxo-N-[4-(oxolan-2-yl)butan-2-yl]-1-phenylpyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NC(C)CCC2CCCO2)nn1-c1ccccc1
InChIInChI=1S/C20H25N3O3/c1-14(10-11-17-9-6-12-26-17)21-20(25)19-18(24)13-15(2)23(22-19)16-7-4-3-5-8-16/h3-5,7-8,13-14,17H,6,9-12H2,1-2H3,(H,21,25)
InChIKeyMPJBCBAFJCKWMA-UHFFFAOYSA-N
XLogP2.62
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-N-[4-(oxolan-2-yl)butan-2-yl]-1-phenylpyridazine-3-carboxamide?
The IUPAC name of 6-methyl-4-oxo-N-[4-(oxolan-2-yl)butan-2-yl]-1-phenylpyridazine-3-carboxamide (CID 51131195) is 6-methyl-4-oxo-N-[4-(oxolan-2-yl)butan-2-yl]-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-N-[4-(oxolan-2-yl)butan-2-yl]-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-N-[4-(oxolan-2-yl)butan-2-yl]-1-phenylpyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)NC(C)CCC2CCCO2)nn1-c1ccccc1.
What is the InChIKey of 6-methyl-4-oxo-N-[4-(oxolan-2-yl)butan-2-yl]-1-phenylpyridazine-3-carboxamide?
The InChIKey is MPJBCBAFJCKWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14(10-11-17-9-6-12-26-17)21-20(25)19-18(24)13-15(2)23(22-19)16-7-4-3-5-8-16/h3-5,7-8,13-14,17H,6,9-12H2,1-2H3,(H,21,25).
What are the key properties of 6-methyl-4-oxo-N-[4-(oxolan-2-yl)butan-2-yl]-1-phenylpyridazine-3-carboxamide?
6-methyl-4-oxo-N-[4-(oxolan-2-yl)butan-2-yl]-1-phenylpyridazine-3-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.62, 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-N-[4-(oxolan-2-yl)butan-2-yl]-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 51131195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).