6-methyl-4-oxo-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1-phenylpyridazine-3-carboxamide

C24H24N4O4 — CID 34804471

IUPAC6-methyl-4-oxo-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1-phenylpyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)nn1-c1ccccc1
InChIInChI=1S/C24H24N4O4/c1-17-14-21(29)23(26-28(17)19-9-3-2-4-10-19)24(31)25-18-8-7-11-20(15-18)32-16-22(30)27-12-5-6-13-27/h2-4,7-11,14-15H,5-6,12-13,16H2,1H3,(H,25,31)
InChIKeyCNQTXWWLIUPVOF-UHFFFAOYSA-N
MW432.48 g/mol
LogP2.79
Rot. Bonds6

About 6-methyl-4-oxo-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1-phenylpyridazine-3-carboxamide

6-methyl-4-oxo-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1-phenylpyridazine-3-carboxamide (PubChem CID 34804471) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is 6-methyl-4-oxo-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1-phenylpyridazine-3-carboxamide
PubChem CID34804471
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC Name6-methyl-4-oxo-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1-phenylpyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)nn1-c1ccccc1
InChIInChI=1S/C24H24N4O4/c1-17-14-21(29)23(26-28(17)19-9-3-2-4-10-19)24(31)25-18-8-7-11-20(15-18)32-16-22(30)27-12-5-6-13-27/h2-4,7-11,14-15H,5-6,12-13,16H2,1H3,(H,25,31)
InChIKeyCNQTXWWLIUPVOF-UHFFFAOYSA-N
XLogP2.79
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methoxyphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 17399746
4-oxo-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-3-propylphthalazine-1-carboxamide
CID 46441094
N-[3-[2-oxo-2-(4-oxopiperidin-1-yl)ethoxy]phenyl]acetamide
CID 62030068
3-(azepane-1-carbonyl)-6-methyl-1-phenylpyridazin-4-one
CID 8869762
N-(4-ethylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 9078101
6-methyl-4-oxo-1-phenyl-N-[(3-phenylmethoxyphenyl)methyl]pyridazine-3-carboxamide
CID 55846918
5-amino-2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzamide
CID 120621130
6-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-4-oxo-1-phenylpyridazine-3-carboxamide
CID 51238820
2-methyl-N-[3-(2-oxo-2-piperidin-1-ylethoxy)phenyl]propanamide
CID 18870129
4,4-dimethyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]pentanamide
CID 129255718
2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]pent-2-enamide
CID 76868356
methyl 2-chloro-5-[(6-methyl-4-oxo-1-phenylpyridazine-3-carbonyl)amino]benzoate
CID 34161619

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1-phenylpyridazine-3-carboxamide?
The IUPAC name of 6-methyl-4-oxo-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1-phenylpyridazine-3-carboxamide (CID 34804471) is 6-methyl-4-oxo-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1-phenylpyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)nn1-c1ccccc1.
What is the InChIKey of 6-methyl-4-oxo-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1-phenylpyridazine-3-carboxamide?
The InChIKey is CNQTXWWLIUPVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-17-14-21(29)23(26-28(17)19-9-3-2-4-10-19)24(31)25-18-8-7-11-20(15-18)32-16-22(30)27-12-5-6-13-27/h2-4,7-11,14-15H,5-6,12-13,16H2,1H3,(H,25,31).
What are the key properties of 6-methyl-4-oxo-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1-phenylpyridazine-3-carboxamide?
6-methyl-4-oxo-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1-phenylpyridazine-3-carboxamide has a molecular weight of 432.48 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 34804471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).