2-[4-[[1-(2-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]amino]phenyl]acetamide

C22H22N4O2 — CID 142487500

IUPAC2-[4-[[1-(2-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]amino]phenyl]acetamide
SMILESCOc1ccccc1-c1nnc(Nc2ccc(CC(N)=O)cc2)c2c1CCC2
InChIInChI=1S/C22H22N4O2/c1-28-19-8-3-2-5-18(19)21-16-6-4-7-17(16)22(26-25-21)24-15-11-9-14(10-12-15)13-20(23)27/h2-3,5,8-12H,4,6-7,13H2,1H3,(H2,23,27)(H,24,26)
InChIKeyHCLMHNUCNNBTLD-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.41
Rot. Bonds6

About 2-[4-[[1-(2-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]amino]phenyl]acetamide

2-[4-[[1-(2-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]amino]phenyl]acetamide (PubChem CID 142487500) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-[4-[[1-(2-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[[1-(2-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]amino]phenyl]acetamide
PubChem CID142487500
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name2-[4-[[1-(2-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]amino]phenyl]acetamide
SMILESCOc1ccccc1-c1nnc(Nc2ccc(CC(N)=O)cc2)c2c1CCC2
InChIInChI=1S/C22H22N4O2/c1-28-19-8-3-2-5-18(19)21-16-6-4-7-17(16)22(26-25-21)24-15-11-9-14(10-12-15)13-20(23)27/h2-3,5,8-12H,4,6-7,13H2,1H3,(H2,23,27)(H,24,26)
InChIKeyHCLMHNUCNNBTLD-UHFFFAOYSA-N
XLogP3.41
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(2-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]amino]phenyl]acetamide?
The IUPAC name of 2-[4-[[1-(2-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]amino]phenyl]acetamide (CID 142487500) is 2-[4-[[1-(2-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]amino]phenyl]acetamide.
What is the SMILES notation for 2-[4-[[1-(2-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]amino]phenyl]acetamide?
The canonical SMILES for 2-[4-[[1-(2-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]amino]phenyl]acetamide is COc1ccccc1-c1nnc(Nc2ccc(CC(N)=O)cc2)c2c1CCC2.
What is the InChIKey of 2-[4-[[1-(2-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]amino]phenyl]acetamide?
The InChIKey is HCLMHNUCNNBTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-28-19-8-3-2-5-18(19)21-16-6-4-7-17(16)22(26-25-21)24-15-11-9-14(10-12-15)13-20(23)27/h2-3,5,8-12H,4,6-7,13H2,1H3,(H2,23,27)(H,24,26).
What are the key properties of 2-[4-[[1-(2-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]amino]phenyl]acetamide?
2-[4-[[1-(2-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]amino]phenyl]acetamide has a molecular weight of 374.44 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(2-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 142487500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).