N-(2,3-dihydro-1H-inden-2-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide

C22H21N3O3 — CID 51044455

IUPACN-(2,3-dihydro-1H-inden-2-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCOc1cccc(-c2ccc(=O)n(CC(=O)NC3Cc4ccccc4C3)n2)c1
InChIInChI=1S/C22H21N3O3/c1-28-19-8-4-7-17(13-19)20-9-10-22(27)25(24-20)14-21(26)23-18-11-15-5-2-3-6-16(15)12-18/h2-10,13,18H,11-12,14H2,1H3,(H,23,26)
InChIKeyMPVBDPGIRUBASQ-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.20
Rot. Bonds5

About N-(2,3-dihydro-1H-inden-2-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide

N-(2,3-dihydro-1H-inden-2-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 51044455) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID51044455
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCOc1cccc(-c2ccc(=O)n(CC(=O)NC3Cc4ccccc4C3)n2)c1
InChIInChI=1S/C22H21N3O3/c1-28-19-8-4-7-17(13-19)20-9-10-22(27)25(24-20)14-21(26)23-18-11-15-5-2-3-6-16(15)12-18/h2-10,13,18H,11-12,14H2,1H3,(H,23,26)
InChIKeyMPVBDPGIRUBASQ-UHFFFAOYSA-N
XLogP2.20
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide (CID 51044455) is N-(2,3-dihydro-1H-inden-2-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide is COc1cccc(-c2ccc(=O)n(CC(=O)NC3Cc4ccccc4C3)n2)c1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is MPVBDPGIRUBASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-28-19-8-4-7-17(13-19)20-9-10-22(27)25(24-20)14-21(26)23-18-11-15-5-2-3-6-16(15)12-18/h2-10,13,18H,11-12,14H2,1H3,(H,23,26).
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
N-(2,3-dihydro-1H-inden-2-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 375.43 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 51044455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).