N-[(2,5-dimethoxyphenyl)methyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide

C20H26N4O4 — CID 53203930

IUPACN-[(2,5-dimethoxyphenyl)methyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)C2CCCN(c3cnn(C)c(=O)c3)C2)c1
InChIInChI=1S/C20H26N4O4/c1-23-19(25)10-16(12-22-23)24-8-4-5-14(13-24)20(26)21-11-15-9-17(27-2)6-7-18(15)28-3/h6-7,9-10,12,14H,4-5,8,11,13H2,1-3H3,(H,21,26)
InChIKeyLAEUJVMUABIXTF-UHFFFAOYSA-N
MW386.45 g/mol
LogP1.33
Rot. Bonds6

About N-[(2,5-dimethoxyphenyl)methyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide

N-[(2,5-dimethoxyphenyl)methyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide (PubChem CID 53203930) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
PubChem CID53203930
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)C2CCCN(c3cnn(C)c(=O)c3)C2)c1
InChIInChI=1S/C20H26N4O4/c1-23-19(25)10-16(12-22-23)24-8-4-5-14(13-24)20(26)21-11-15-9-17(27-2)6-7-18(15)28-3/h6-7,9-10,12,14H,4-5,8,11,13H2,1-3H3,(H,21,26)
InChIKeyLAEUJVMUABIXTF-UHFFFAOYSA-N
XLogP1.33
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide (CID 53203930) is N-[(2,5-dimethoxyphenyl)methyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide is COc1ccc(OC)c(CNC(=O)C2CCCN(c3cnn(C)c(=O)c3)C2)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide?
The InChIKey is LAEUJVMUABIXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-23-19(25)10-16(12-22-23)24-8-4-5-14(13-24)20(26)21-11-15-9-17(27-2)6-7-18(15)28-3/h6-7,9-10,12,14H,4-5,8,11,13H2,1-3H3,(H,21,26).
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide?
N-[(2,5-dimethoxyphenyl)methyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide has a molecular weight of 386.45 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 53203930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).