1-(cyclopentylmethyl)-N-(3,4-dimethoxyphenyl)-5-hydroxy-4-oxopyridazine-3-carboxamide;toluene

C26H31N3O5 — CID 144808006

IUPAC1-(cyclopentylmethyl)-N-(3,4-dimethoxyphenyl)-5-hydroxy-4-oxopyridazine-3-carboxamide;toluene
SMILESCOc1ccc(NC(=O)c2nn(CC3CCCC3)cc(O)c2=O)cc1OC.Cc1ccccc1
InChIInChI=1S/C19H23N3O5.C7H8/c1-26-15-8-7-13(9-16(15)27-2)20-19(25)17-18(24)14(23)11-22(21-17)10-12-5-3-4-6-12;1-7-5-3-2-4-6-7/h7-9,11-12,23H,3-6,10H2,1-2H3,(H,20,25);2-6H,1H3
InChIKeyKVZVRCWRISORKE-UHFFFAOYSA-N
MW465.55 g/mol
LogP4.40
Rot. Bonds6

About 1-(cyclopentylmethyl)-N-(3,4-dimethoxyphenyl)-5-hydroxy-4-oxopyridazine-3-carboxamide;toluene

1-(cyclopentylmethyl)-N-(3,4-dimethoxyphenyl)-5-hydroxy-4-oxopyridazine-3-carboxamide;toluene (PubChem CID 144808006) has the molecular formula C26H31N3O5 and a molecular weight of 465.55 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-N-(3,4-dimethoxyphenyl)-5-hydroxy-4-oxopyridazine-3-carboxamide;toluene.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-N-(3,4-dimethoxyphenyl)-5-hydroxy-4-oxopyridazine-3-carboxamide;toluene
PubChem CID144808006
Molecular FormulaC26H31N3O5
Molecular Weight465.55 g/mol
Exact Mass465.23
IUPAC Name1-(cyclopentylmethyl)-N-(3,4-dimethoxyphenyl)-5-hydroxy-4-oxopyridazine-3-carboxamide;toluene
SMILESCOc1ccc(NC(=O)c2nn(CC3CCCC3)cc(O)c2=O)cc1OC.Cc1ccccc1
InChIInChI=1S/C19H23N3O5.C7H8/c1-26-15-8-7-13(9-16(15)27-2)20-19(25)17-18(24)14(23)11-22(21-17)10-12-5-3-4-6-12;1-7-5-3-2-4-6-7/h7-9,11-12,23H,3-6,10H2,1-2H3,(H,20,25);2-6H,1H3
InChIKeyKVZVRCWRISORKE-UHFFFAOYSA-N
XLogP4.40
TPSA102.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-N-(3,4-dimethoxyphenyl)-5-hydroxy-4-oxopyridazine-3-carboxamide;toluene?
The IUPAC name of 1-(cyclopentylmethyl)-N-(3,4-dimethoxyphenyl)-5-hydroxy-4-oxopyridazine-3-carboxamide;toluene (CID 144808006) is 1-(cyclopentylmethyl)-N-(3,4-dimethoxyphenyl)-5-hydroxy-4-oxopyridazine-3-carboxamide;toluene.
What is the SMILES notation for 1-(cyclopentylmethyl)-N-(3,4-dimethoxyphenyl)-5-hydroxy-4-oxopyridazine-3-carboxamide;toluene?
The canonical SMILES for 1-(cyclopentylmethyl)-N-(3,4-dimethoxyphenyl)-5-hydroxy-4-oxopyridazine-3-carboxamide;toluene is COc1ccc(NC(=O)c2nn(CC3CCCC3)cc(O)c2=O)cc1OC.Cc1ccccc1.
What is the InChIKey of 1-(cyclopentylmethyl)-N-(3,4-dimethoxyphenyl)-5-hydroxy-4-oxopyridazine-3-carboxamide;toluene?
The InChIKey is KVZVRCWRISORKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5.C7H8/c1-26-15-8-7-13(9-16(15)27-2)20-19(25)17-18(24)14(23)11-22(21-17)10-12-5-3-4-6-12;1-7-5-3-2-4-6-7/h7-9,11-12,23H,3-6,10H2,1-2H3,(H,20,25);2-6H,1H3.
What are the key properties of 1-(cyclopentylmethyl)-N-(3,4-dimethoxyphenyl)-5-hydroxy-4-oxopyridazine-3-carboxamide;toluene?
1-(cyclopentylmethyl)-N-(3,4-dimethoxyphenyl)-5-hydroxy-4-oxopyridazine-3-carboxamide;toluene has a molecular weight of 465.55 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-N-(3,4-dimethoxyphenyl)-5-hydroxy-4-oxopyridazine-3-carboxamide;toluene is sourced from PubChem (CID 144808006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).