N-cycloheptyl-3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide

C21H29N3O3 — CID 24789946

IUPACN-cycloheptyl-3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide
SMILESCOc1ccc(C2=NN(CCC(=O)NC3CCCCCC3)C(=O)CC2)cc1
InChIInChI=1S/C21H29N3O3/c1-27-18-10-8-16(9-11-18)19-12-13-21(26)24(23-19)15-14-20(25)22-17-6-4-2-3-5-7-17/h8-11,17H,2-7,12-15H2,1H3,(H,22,25)
InChIKeyJUNJFNKBFMVUGK-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.25
Rot. Bonds6

About N-cycloheptyl-3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide

N-cycloheptyl-3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide (PubChem CID 24789946) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-cycloheptyl-3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide.

Molecular Properties

Compound NameN-cycloheptyl-3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide
PubChem CID24789946
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC NameN-cycloheptyl-3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide
SMILESCOc1ccc(C2=NN(CCC(=O)NC3CCCCCC3)C(=O)CC2)cc1
InChIInChI=1S/C21H29N3O3/c1-27-18-10-8-16(9-11-18)19-12-13-21(26)24(23-19)15-14-20(25)22-17-6-4-2-3-5-7-17/h8-11,17H,2-7,12-15H2,1H3,(H,22,25)
InChIKeyJUNJFNKBFMVUGK-UHFFFAOYSA-N
XLogP3.25
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide?
The IUPAC name of N-cycloheptyl-3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide (CID 24789946) is N-cycloheptyl-3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide.
What is the SMILES notation for N-cycloheptyl-3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide?
The canonical SMILES for N-cycloheptyl-3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide is COc1ccc(C2=NN(CCC(=O)NC3CCCCCC3)C(=O)CC2)cc1.
What is the InChIKey of N-cycloheptyl-3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide?
The InChIKey is JUNJFNKBFMVUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-27-18-10-8-16(9-11-18)19-12-13-21(26)24(23-19)15-14-20(25)22-17-6-4-2-3-5-7-17/h8-11,17H,2-7,12-15H2,1H3,(H,22,25).
What are the key properties of N-cycloheptyl-3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide?
N-cycloheptyl-3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide has a molecular weight of 371.48 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide is sourced from PubChem (CID 24789946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).